(7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Ornithyl-L-Valyl-L-Ornithyl-L-Valylamino)-1,6-Dioxohexyl]Oxy]Methyl]Cepham-3-Ene-4-Carboxylic Acid
[CAS# 99313-74-3]

Identification

• Name: (7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Ornithyl-L-Valyl-L-Ornithyl-L-Valylamino)-1,6-Dioxohexyl]Oxy]Methyl]Cepham-3-Ene-4-Carboxylic Acid
• Synonyms: 3-[[6-Amino-4-[[(1S)-1-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2,5-Diaminopentanoyl]Amino]-3-Methyl-Butanoyl]Amino]Pentanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-3-Hydroxy-6-Oxo-Hexanoyl]Oxymethyl]-7-[(5-Amino-6-Hydroxy-6-Oxo-Hexanoyl)Amino]-7-Methoxy-8-Oxo-5-Thia-
• Molecular Formula: C₄₁H₆₉N₁₁O₁₅S
• Molecular Weight: 988.12
• CAS Registry Number: 99313-74-3
• SMILES: [C@@H](NC(C(O)CC(OCC1=C(N2C(SC1)C(OC)(NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O)=O)CC(=O)N)(C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN)C(C)C)CCCN)C(C)C
• InChI: 1S/C41H69N11O15S/c1-19(2)30(36(60)50-34(58)24(11-8-14-43)48-35(59)31(20(3)4)49-33(57)22(44)10-7-13-42)47-25(15-27(46)54)26(53)16-29(56)67-17-21-18-68-40-41(66-5,39(65)52(40)32(21)38(63)64)51-28(55)12-6-9-23(45)37(61)62/h19-20,22-26,30-31,40,47,53H,6-18,42
• InChIKey: JBODJWJBIOEWBA-KPZHMRGNSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 1335.261°C at 760 mmHg (Cal.)
• Flash point: 761.338°C (Cal.)