Primary Record
DTXSID001365348
- In stock
- 8,516 g
- Purity
- 98.2 %
- CAS
- 117978-77-5
Compound Identifiers & Properties
- CAS
- 117978-77-5
- PubChem CID
- 177842868
- SMILES
- CC[C@H](C)[C@@H](C(=N[C@@H](C)C(=NC1CSCC(N=C([C@@H](N=C(C(N=C(C(N=C1O)CCCCN)O)CC2=CC=CC=C2)O)CC(C)C)O)C(=N[C@@H]3[C@@H](SC[C@H](N=C(CN=C([C@@H]4CCCN4C3=O)O)O)C(=N[C@@H](C)C(=N[C@@H](CCCCN)C(=NC(=CC)C(=NCC(=N[C@@H]5CSC[C@H]6C(=NC=CSC[C@H](C(=N[C@H](C(=N6)O)CC7=CC=C(C=C7)O)O)N=C([C@@H](N=C(C(N=C5O)CC8=CC=CC=C8)O)CC(=N)O)O)O)O)O)O)O)O)C)O)O)O)N
- Canonical SMILES
- CC=C(N=C(O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@@H]1CS[C@@H](C)[C@@H](N=C(O)C2CSCC(N=C(O)[C@H](C)N=C(O)[C@@H](N)[C@@H](C)CC)C(O)=NC(CCCCN)C(O)=NC(Cc3ccccc3)C(O)=N[C@@H](CC(C)C)C(O)=N2)C(=O)N2CCC[C@H]2C(O)=NCC(O)=N1)C(O)=NCC(O)=N[C@@H]1CSC[C@@H]2N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@@H](CSC=CN=C2O)N=C(O)[C@H](CC(=N)O)N=C(O)C(Cc2ccccc2)N=C1O
Names & Synonyms
- DTXSID001365348
- (3S,4S,7R,13S)-N-[(2S)-1-[(2S)-6-amino-1-[(Z)-1-[2-[[(1S,4S,7S,10S,14R,17Z,23S)-7-benzyl-3,6,9,15,21,24-hexahydroxy-4-(2-hydroxy-2-iminoethyl)-23-[(4-hydroxyphenyl)methyl]-12,19-dithia-2,5,8,16,22,25-hexazabicyclo[12.6.5]pentacosa-2,5,8,15,17,21,24-heptaen-10-yl]imino]-2-hydroxyethyl]imino-1-hydroxybut-2-en-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxypropan-2-yl]-3-[[[(3R,6S,9S,12S,15S)-12-(4-aminobutyl)-15-[[(2S)-2-[[(2S,3S)-2-amino-1-hydroxy-3-methylpentylidene]amino]-1-hydroxypropylidene]amino]-9-benzyl-5,8,11,14-tetrahydroxy-6-(2-methylpropyl)-1-thia-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-3-yl]-hydroxymethylidene]amino]-9,12-dihydroxy-4-methyl-2-oxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadeca-8,11-diene-7-carboximidic acid
- 117978-77-5