Chemical Compound

Caspofungin

CAS Registry Number 162808-62-0
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Caspofungin chemical structure
Primary Record

Caspofungin

In stock
3,103 g
Purity
99.6 %
CAS
162808-62-0

Compound Identifiers & Properties

CAS
162808-62-0
PubChem CID
16119814
SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O
Canonical SMILES
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O

Names & Synonyms

  • Caspofungin
  • caspofungine
  • Caspofungina
  • Cancidas
  • caspofunginum
  • Caspofungin acetate
  • Caspofungin [INN]
  • caspofungin diacetate
  • 162808-62-0
  • Caspofungin Impurity 17
  • F0XDI6ZL63
  • RefChem:56792
  • Caspofungin [INN:BAN]
  • CASPOFUNGIN [MI]
  • CASPOFUNGIN [HSDB]
  • UNII-F0XDI6ZL63
  • (10R,12S)-caspofungin
  • CASPOFUNGIN [VANDF]
  • CASPOFUNGIN [WHO-DD]
  • CASPOFUNGIN [EMA EPAR]
  • orb1739130
  • SCHEMBL7903583
  • CHEMBL1630575
  • HSDB 7476
  • DTXSID30873204
  • J02AX04
  • CHEBI:474180
  • DTXCID701508490
  • GLXC-05478
  • MK-0991
  • EBC-27523
  • HY-17006A
  • MFCD30541213
  • ACN-036877
  • BAT-010107
  • MK 0991
  • DA-62083
  • L-743872
  • L-743,872
  • 3117B
  • CS-0009545
  • FT-0696944
  • J3.260.940F
  • L 743872
  • A978945
  • EN300-22853765
  • L743872
  • L743,872
  • L 743,872
  • Q63413125
  • N0001-011142
  • Pneumocandin B0, 1-[(4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-
  • (4R,5S)-5-((2-Aminoethyl)amino)-N(sup 2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide
  • (10R,12S)-N-(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-(1R)-3-amino-1-hydroxypropyl-21-(2-aminoethyl)amino-6-(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl-11,20,25-trihydroxy-15-(1R)-1-hydroxyethyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo22.3.0.0,9,13heptacosan-18-yl-10,12-dimethyltetradecanamide
  • (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-21-[(2-aminoethyl)amino]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0,9,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
  • (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-[(1R)-3-amino-1-hydroxypropyl]-21-[(2-aminoethyl)amino]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
  • (4R,5S)-5-((2-aminoethyl)amino)-n2-(10,12-dimethyltetradecanoyl)-4-hydroxy-l-ornithyl-l-threonyl-trans-4-hydroxy-l-prolyl-(s)-4-hydroxy-4-(p-hydroxyphenyl)-l-threonyl-threo-3-hydroxy-l-ornithyl-trans-3-hydroxy-l-proline cyclic (1->6) disulfide
  • Cyclo[L-Thr-4beta-hydroxy-L-Pro-[(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-Thr-]-[(3R)-3-hydroxy-L-Orn-]-3beta-hydroxy-L-Pro-[(4R,5S)-N2-(10,12-dimethyltetradecanoyl)-4-hydroxy-5-(2-aminoethylamino)-L-Orn*-]]
  • Cyclo[L-Thr-4beta-hydroxy-L-Pro-[(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-Thr-]-[(3R)-3-hydroxy-L-Orn-]-3beta-hydroxy-L-Pro-[(4R,5S)-N2-[(10R,12S)-10,12-dimethyltetradecanoyl]-4-hydroxy-5-(2-aminoethylamino)-L-Orn*-]]
  • Cyclo[L-Thr-L-t4Hyp-[(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-L-Abu-]-[(3R)-3-hydroxy-L-Orn-]-[(3S)-3-hydroxy-L-Pro-]-[(4R,5S)-5-[(2-aminoethyl)amino]-4-hydroxy-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-L-Orn*-]]
  • N-((3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-3-((1R)-3-amino-1-hydroxypropyl)-21-((2-aminoethyl)amino)-6-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-11,20,25-trihydroxy-15-((1R)-1-hydroxyethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo(22.3.0.0^(9,13))heptacosan-18-yl)-10,12-dimethyltetradecanamide
  • pneumocandin b0, 1-((4R,5S)-5-((2-aminoethyl)amino)-n2-((10R,12S)-10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-l-ornithine)-5-((3R)-3-hydroxy-l-ornithine)-
  • Tetradecanamide, N-((2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-((2-aminoethyl)amino)-20-((1R)-3-amino-1-hydroxypropyl)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)tetracosahydro-2,11,15-trihyd roxy-6-((1R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo(2,1-c:2',1'-l)(1,4,7,10,13,16)hexaazacycloheneicosin-9-yl)-10,12-dimethyl-