(2S)-2-Amino-N-[(2S)-1-[[(2S)-1-[[2-[[(2R)-2-Amino-3-(3-Nitropyridin-2-Yl)Disulfanylpropanoyl]Amino]Acetyl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Pentanediamide
[CAS# 134152-14-0]

Identification

• Name: (2S)-2-Amino-N-[(2S)-1-[[(2S)-1-[[2-[[(2R)-2-Amino-3-(3-Nitropyridin-2-Yl)Disulfanylpropanoyl]Amino]Acetyl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Pentanediamide
• Synonyms: (2S)-2-Amino-N-[(1S)-1-[[(1S)-1-[[2-[[(2R)-2-Amino-3-[(3-Nitro-2-Pyridyl)Disulfanyl]Propanoyl]Amino]Acetyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Pentanediamide; (2S)-2-Amino-N-[(1S)-1-[[[(1S)-1-[[[2-[[(2R)-2-Amino-3-[(3-Nitro-2-Pyridyl)Disulfanyl]-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-2-Methylpropyl]Pentanediamide; (2S)-2-Amino-N-[(1S)-1-[[(1S)-1-[[2-[[(2R)-2-Amino-3-[(3-Nitro-2-Pyridyl)Disulfanyl]Propanoyl]Amino]Acetyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-2-Methyl-Propyl]Glutaramide
• Molecular Formula: C₂₅H₃₉N₉O₈S₂
• Molecular Weight: 657.76
• CAS Registry Number: 134152-14-0
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)C(C)C)(C(=O)NC(=O)CNC(=O)[C@@H](N)CSSC1=NC=CC=C1[N+]([O-])=O)C(C)C
• InChI: 1S/C25H39N9O8S2/c1-12(2)19(33-24(40)20(13(3)4)32-22(38)14(26)7-8-17(28)35)23(39)31-18(36)10-30-21(37)15(27)11-43-44-25-16(34(41)42)6-5-9-29-25/h5-6,9,12-15,19-20H,7-8,10-11,26-27H2,1-4H3,(H2,28,35)(H,30,37)(H,32,38)(H,33,40)(H,31,36,39)/t14-,15-,19-,20-/m0/s1
• InChIKey: PGCKQVSRWBNSJC-SLUIBLPYSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 1009.912°C at 760 mmHg (Cal.)
• Flash point: 564.575°C (Cal.)