Primary Record
MFCD00076226
- In stock
- 4,194 g
- Purity
- 98.9 %
- CAS
- 89213-87-6
Compound Identifiers & Properties
- CAS
- 89213-87-6
- PubChem CID
- 176446054
- SMILES
- CC[C@H](C)[C@H]1C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NCC(=N[C@H](C(=NCC(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=NCC(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N1)O)CCCNC(=N)N)O)CC(=O)O)O)CCSC)O)CCCNC(=N)N)O)O)O)CC2=CC=CC=C2)O)N=C([C@H](CO)N=C([C@H](CO)N=C([C@H](CCCNC(=N)N)N=C([C@H](CCCNC(=N)N)N=C([C@H](CC(C)C)N=C([C@H](CO)N)O)O)O)O)O)O)C(=N[C@@H](CC(=N)O)C(=N[C@@H](CO)C(=N[C@@H](CC3=CC=CC=C3)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)O)O)O)O)O)O)O)CC(C)C)O)O)CO)O)CCC(=N)O)O)C)O)O.C(=O)(C(F)(F)F)O
- Canonical SMILES
- CC[C@H](C)[C@@H]1N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)CN=C(O)[C@H](Cc2ccccc2)N=C(O)[C@@H](N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CO)CSSC[C@@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc2ccccc2)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc2ccc(O)cc2)C(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](C)N=C(O)CN=C1O.O=C(O)C(F)(F)F
Names & Synonyms
- MFCD00076226
- C129H204F3N45O41S3
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-19-(3-amino-3-oxo-propyl)-49-benzyl-34-(carboxymethyl)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-28-[(1S)-1-methylpropyl]-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid;2,2,2-trifluoroacetic acid
- 89213-87-6