(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Phenylpropanoic Acid
[CAS# 144548-33-4]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenylpropanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-3-Methylbutanoyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₉H₄₁N₇O₅
• Molecular Weight: 567.69
• CAS Registry Number: 144548-33-4
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CCCN=C(N)N)(C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O
• InChI: 1S/C29H41N7O5/c1-18(2)24(27(39)35-23(28(40)41)17-20-12-7-4-8-13-20)36-26(38)22(14-9-15-33-29(31)32)34-25(37)21(30)16-19-10-5-3-6-11-19/h3-8,10-13,18,21-24H,9,14-17,30H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)(H4,31,32,33)/t21-,22-,23-,24-/m0/s1
• InChIKey: LIWOHUSRWUWRSX-ZJZGAYNASA-N

Properties

• Density: 1.304g/cm³ (Cal.)