Primary Record
MFCD00076378
- In stock
- 647 g
- Purity
- 98.8 %
- CAS
- 117399-93-6
Compound Identifiers & Properties
- CAS
- 117399-93-6
- PubChem CID
- 176450975
- SMILES
- CCC(C)C(C(=NC(C(C)CC)C(=NC(CC1=CNC2=CC=CC=C21)C(=O)O)O)O)N=C(C(CC(=O)O)N=C(C(CC(C)C)N=C(C(CC3=CN=CN3)N=C(C4CSSCC(C(=NC(C(=NC5CSSCC(C(=NC(C(=NC(C(=NC(C(=N4)O)CC6=CC=C(C=C6)O)O)CC7=CC=C(C=C7)O)O)C(C)C)O)N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C5O)CC8=CC=CC=C8)O)C(C)O)O)CC9=CC=C(C=C9)O)O)CCCCN)O)CC(=O)O)O)CCCCN)O)CCC(=O)O)O)O)C(C)O)O)N)O)O)O)O
- Canonical SMILES
- CCC(C)C(N=C(O)C(CC(=O)O)N=C(O)C(CC(C)C)N=C(O)C(Cc1cnc[nH]1)N=C(O)C1CSSCC(N)C(O)=NC(C(C)O)C(O)=NC2CSSCC(N=C(O)C(CCC(=O)O)N=C(O)C(CCCCN)N=C(O)C(CC(=O)O)N=C(O)C(CCCCN)N=C(O)C(Cc3ccc(O)cc3)N=C(O)C(C(C)O)N=C(O)C(Cc3ccccc3)N=C2O)C(O)=NC(C(C)C)C(O)=NC(Cc2ccc(O)cc2)C(O)=NC(Cc2ccc(O)cc2)C(O)=N1)C(O)=NC(C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC
Names & Synonyms
- MFCD00076378
- C121H168N26O33S4
- 117399-93-6
- 3-[[2-[[2-[[31-amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,28-bis(1-hydroxyethyl)-16,39,42-tris[(4-hydroxyphenyl)methyl]-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid