Primary Record
MFCD16661185
- In stock
- 6,604 g
- Purity
- 98.7 %
- CAS
- 1414-45-5
Compound Identifiers & Properties
- CAS
- 1414-45-5
- PubChem CID
- 176450950
- SMILES
- CC[C@H](C)[C@H]1C(=NC(=C)C(=N[C@H](C(=N[C@@H](CSC[C@H](C(=N1)O)N=C(/C(=C/C)/N=C([C@H]([C@@H](C)CC)N)O)O)C(=N[C@H]2[C@@H](SC[C@H](N=C(CN=C([C@@H]3CCCN3C2=O)O)O)C(=N[C@@H](CCCCN)C(=N[C@H]4[C@@H](SC[C@H](N=C(CN=C([C@@H](N=C([C@H](N=C([C@@H](N=C(CN=C4O)O)C)O)CC(C)C)O)CCSC)O)O)C(=N[C@@H](CC(=N)O)C(=N[C@@H](CCSC)C(=N[C@@H](CCCCN)C(=N[C@@H]5[C@@H](SC[C@H]6C(=N[C@H](C(=N[C@@H](CS[C@H]([C@H](C(=N6)O)N=C([C@@H](N=C5O)C)O)C)C(=N[C@@H](CO)C(=N[C@@H]([C@@H](C)CC)C(=N[C@@H](CC7=CN=CN7)C(=N[C@@H](C(C)C)C(=NC(=C)C(=N[C@@H](CCCCN)C(=O)O)O)O)O)O)O)O)O)CC8=CN=CN8)O)C)O)O)O)O)C)O)O)C)O)O)CC(C)C)O)O
- Canonical SMILES
- C=C(N=C(O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CS[C@@H](C)[C@H]2N=C(O)[C@H](C)N=C(O)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCSC)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H]3CS[C@@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H]4CS[C@@H](C)[C@H](N=C(O)[C@@H]5CSC[C@@H](N=C(O)/C(=C/C)N=C(O)[C@@H](N)[C@@H](C)CC)C(O)=N[C@@H]([C@@H](C)CC)C(O)=NC(=C)C(O)=N[C@@H](CC(C)C)C(O)=N5)C(=O)N5CCC[C@H]5C(O)=NCC(O)=N4)C(O)=NCC(O)=N[C@@H](C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H](CCSC)C(O)=NCC(O)=N3)[C@H](C)SC[C@H](N=C2O)C(O)=N[C@@H](Cc2cnc[nH]2)C(O)=N1)[C@@H](C)CC)C(C)C)C(O)=N[C@@H](CCCCN)C(=O)O
Names & Synonyms
- MFCD16661185
- C143H230N42O37S7
- (2S)-6-amino-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(1S,4S,7S,8S,11R,14S,17R,20S)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R,9S,12R,15S,21R,22S)-21-[[(2S)-6-amino-2-[[(3R,4S,7R,13S)-3-[[(3R,6S,12S,15S)-15-[[(Z)-2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]but-2-enoyl]amino]-6-isobutyl-9-methylene-12-[(1S)-1-methylpropyl]-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carbonyl]amino]hexanoyl]amino]-12-isobutyl-15,22-dimethyl-9-(2-methylsulfanylethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]hexanoyl]amino]-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methy
- 1414-45-5