(7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(L-Ornithyl-L-Valylamino)-1,6-Dioxohexyl]Oxy]Methyl]Cepham-3-Ene-4-Carboxylic Acid
[CAS# 99332-96-4]

Identification

• Name: (7S)-7-[[(R)-5-Amino-5-Carboxy-1-Oxopentyl]Amino]-7-Methoxy-3-[[[6-Amino-3-Hydroxy-4-(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)-2,5-Diaminopentanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-3-Hydroxy-6-Oxo-Hexanoyl]Oxymethyl]-7-[[(5R)-5-Amino-6-Hydroxy-6-Oxo-Hexanoyl]Amino]-7-Methoxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)
• Molecular Formula: C₃₁H₅₀N₈O₁₃S
• Molecular Weight: 774.84
• CAS Registry Number: 99332-96-4
• SMILES: [C@H](C(=O)NC([C@@H](N)CCCN)=O)(NC(C(CC(=O)OCC1=C(N2[C@H](SC1)[C@](C2=O)(OC)NC(CCC[C@H](C(=O)O)N)=O)C(=O)O)O)CC(=O)N)C(C)C
• InChI: 1S/C31H50N8O13S/c1-14(2)23(26(45)37-25(44)16(33)7-5-9-32)36-18(10-20(35)41)19(40)11-22(43)52-12-15-13-53-30-31(51-3,29(50)39(30)24(15)28(48)49)38-21(42)8-4-6-17(34)27(46)47/h14,16-19,23,30,36,40H,4-13,32-34H2,1-3H3,(H2,35,41)(H,38,42)(H,46,47)(H,48,49)(H,
• InChIKey: XCZVZZYVKNVEGK-JCAFXEPYSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 1152.772°C at 760 mmHg (Cal.)
• Flash point: 650.973°C (Cal.)