(7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Seryl-L-Ornithyl-L-Valyl-L-Ornithyl-L-Valylamino)-1,6-Dioxohexyl]Oxy]Methyl]Cepham-3-Ene-4-Carboxylic Acid
[CAS# 99332-95-3]

Identification

• Name: (7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Seryl-L-Ornithyl-L-Valyl-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)-5-Amino-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Pentanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-3-Hydroxy-6-Oxo-Hexanoyl]Oxymethyl]-7-[[(5R)-5-Amino-6-
• Molecular Formula: C₄₄H₇₄N₁₂O₁₇S
• Molecular Weight: 1075.20
• CAS Registry Number: 99332-95-3
• 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](NC(=O)[C@@H](N)CO)CCCN)C(C)C)CCCN)C(C)C)CC(=O)N
• InChI: 1S/C44H74N12O17S/c1-20(2)32(39(66)54-37(64)26(11-8-14-46)52-38(65)33(21(3)4)53-36(63)25(10-7-13-45)51-35(62)24(48)17-57)50-27(15-29(49)59)28(58)16-31(61)73-18-22-19-74-43-44(72-5,42(71)56(43)34(22)41(69)70)55-30(60)12-6-9-23(47)40(67)68/h20-21,23-28,32-33
• InChIKey: NICQMWMVZVYVQB-FXCQEVDKSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 1443.725°C at 760 mmHg (Cal.)
• Flash point: 826.935°C (Cal.)