(7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Alanyl-L-Seryl-L-Ornithyl-L-Valylamino)-1,6-Dioxohexyl]Oxy]Methyl]Cepham-3-Ene-4-Carboxylic Acid
[CAS# 99313-75-4]

Identification

• Name: (7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Alanyl-L-Seryl-L-Ornithyl-L-Valylamino)-1,6-Dioxohexyl]Oxy]Methyl]Cepham-3-Ene-4-Carboxylic Acid
• Synonyms: (6R,7S)-3-[[6-Amino-4-[[(1S)-1-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Pentanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-3-Hydroxy-6-Oxo-Hexanoyl]Oxymethyl]-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-7-Methoxy-8-
• Molecular Formula: C₃₇H₆₀N₁₀O₁₆S
• Molecular Weight: 933.00
• CAS Registry Number: 99313-75-4
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@@]2(OC)NC(=O)CCC[C@@H](N)C(=O)O)C(=O)O)COC(=O)CC(O)C(N[C@H](C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CO)CCCN)C(C)C)CC(=O)N
• InChI: 1S/C37H60N10O16S/c1-16(2)27(32(56)45-30(54)20(8-6-10-38)43-31(55)22(13-48)44-29(53)17(3)39)42-21(11-24(41)50)23(49)12-26(52)63-14-18-15-64-36-37(62-4,35(61)47(36)28(18)34(59)60)46-25(51)9-5-7-19(40)33(57)58/h16-17,19-23,27,36,42,48-49H,5-15,38-40H2,1-4H3,
• InChIKey: GWPNGVILFARDOB-LUCUIEKOSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 1356.254°C at 760 mmHg (Cal.)
• Flash point: 774.034°C (Cal.)