(2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-Amino-3-Hydroxypropanoyl)-3-Hydroxypyrrolidine-2-Carbonyl]Amino]-13,15-Dihydroxy-16-Methyl-2,6-Dioxo3-Oxa-10-Thia-7-Azabicyclo[10.4.0]Hexadeca-1(16),12,14-Triene-8-Carbonyl]Amino]Propanoic Acid
[CAS# 147214-63-9]

Identification

• Name: (2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-Amino-3-Hydroxypropanoyl)-3-Hydroxypyrrolidine-2-Carbonyl]Amino]-13,15-Dihydroxy-16-Methyl-2,6-Dioxo3-Oxa-10-Thia-7-Azabicyclo[10.4.0]Hexadeca-1(16),12,14-Triene-8-Carbonyl]Amino]Propanoic Acid
• Synonyms: (2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-Amino-3-Hydroxy-Propanoyl)-3-Hydroxy-Pyrrolidine-2-Carbonyl]Amino]-13,15-Dihydroxy-16-Methyl-2,6-Dioxo-3-Oxa-10-Thia-7-Azabicyclo[10.4.0]Hexadeca-1(16),12,14-Triene-8-Carbonyl]Amino]Propanoic Acid; (2S)-2-[[[(5S,8R)-5-[[[(2S,3R)-1-(2-Amino-3-Hydroxy-1-Oxopropyl)-3-Hydroxy-2-Pyrrolidinyl]-Oxomethyl]Amino]-13,15-Dihydroxy-16-Methyl-2,6-Dioxo-3-Oxa-10-Thia-7-Azabicyclo[10.4.0]Hexadeca-1(16),12,14-Trien-8-Yl]-Oxomethyl]Amino]Propanoic Acid; (2S)-2-[[(5S,8R)-5-[[(2S,3R)-1-(2-Amino-3-Hydroxy-Propanoyl)-3-Hydroxy-Pyrrolidine-2-Carbonyl]Amino]-13,15-Dihydroxy-2,6-Diketo-16-Methyl-3-Oxa-10-Thia-7-Azabicyclo[10.4.0]Hexadeca-1(16),12,14-Triene-8-Carbonyl]Amino]Propionic Acid
• Molecular Formula: C₂₆H₃₅N₅O₁₂S
• Molecular Weight: 641.65
• CAS Registry Number: 147214-63-9
• SMILES: [C@@H]1(N(CC[C@H]1O)C(=O)C(N)CO)C(=O)N[C@H]3COC(=O)C2=C(C(=CC(=C2CSC[C@H](NC3=O)C(=O)N[C@@H](C)C(O)=O)O)O)C
• InChI: 1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13?,14-,15-,16+,20-/m0/s1
• InChIKey: HMHQWJDFNVJCHA-ZPGBQQFCSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Boiling point: 1253.383°C at 760 mmHg (Cal.)
• Flash point: 711.82°C (Cal.)