(2S,3S)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-Hydroxy-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Pentanoyl]Amino]-3-Methylpentanamide
[CAS# 139026-54-3]

Identification

• Name: (2S,3S)-2-[[(2S)-5-(Diaminomethylideneamino)-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-Hydroxy-3-Phenylpropanoyl]Amino]Propanoyl]Amino]Pentanoyl]Amino]-3-Methylpentanamide
• Synonyms: (2S,3S)-2-[[(2S)-5-Guanidino-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-Hydroxy-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Pentanoyl]Amino]-3-Methyl-Pentanamide; (2S,3S)-2-[[(2S)-5-Guanidino-2-[[(2S)-2-[[(2S)-2-Hydroxy-1-Oxo-3-Phenylpropyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopentyl]Amino]-3-Methylpentanamide; (2S,3S)-2-[[(2S)-5-Guanidino-2-[[(2S)-3-(4-Hydroxyphenyl)-2-[[(2S)-2-Hydroxy-3-Phenyl-Propanoyl]Amino]Propanoyl]Amino]Pentanoyl]Amino]-3-Methyl-Valeramide
• Molecular Formula: C₃₀H₄₃N₇O₆
• Molecular Weight: 597.71
• CAS Registry Number: 139026-54-3
• SMILES: [C@@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CC1=CC=CC=C1)CC2=CC=C(O)C=C2)CCCN=C(N)N)C(=O)N)(CC)C
• InChI: 1S/C30H43N7O6/c1-3-18(2)25(26(31)40)37-27(41)22(10-7-15-34-30(32)33)35-28(42)23(16-20-11-13-21(38)14-12-20)36-29(43)24(39)17-19-8-5-4-6-9-19/h4-6,8-9,11-14,18,22-25,38-39H,3,7,10,15-17H2,1-2H3,(H2,31,40)(H,35,42)(H,36,43)(H,37,41)(H4,32,33,34)/t18-,22-,23-,24-,25-/m0/s1
• InChIKey: UBOLUOWRWFHBRN-WCJQXVFBSA-N

Properties

• Density: 1.332g/cm³ (Cal.)