Methyl (2S)-2-[[(2S)-2-[[(2S)-2-(Benzoylamino)-3-Phenylpropanoyl]Amino]-3-Methylbutanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoate
[CAS# 75567-54-3]

Identification

• Name: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-(Benzoylamino)-3-Phenylpropanoyl]Amino]-3-Methylbutanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoate
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-(Benzoylamino)-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Guanidino-Pentanoate; (2S)-5-Guanidino-2-[[(2S)-3-Methyl-1-Oxo-2-[[(2S)-1-Oxo-2-[(Oxo-Phenylmethyl)Amino]-3-Phenylpropyl]Amino]Butyl]Amino]Pentanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-[[(2S)-2-(Benzoylamino)-3-Phenyl-Propanoyl]Amino]-3-Methyl-Butanoyl]Amino]-5-Guanidino-Valeric Acid Methyl Ester
• Molecular Formula: C₂₈H₃₈N₆O₅
• Molecular Weight: 538.65
• CAS Registry Number: 75567-54-3
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)C1=CC=CC=C1)CC2=CC=CC=C2)(C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(OC)=O
• InChI: 1S/C28H38N6O5/c1-18(2)23(26(37)32-21(27(38)39-3)15-10-16-31-28(29)30)34-25(36)22(17-19-11-6-4-7-12-19)33-24(35)20-13-8-5-9-14-20/h4-9,11-14,18,21-23H,10,15-17H2,1-3H3,(H,32,37)(H,33,35)(H,34,36)(H4,29,30,31)/t21-,22-,23-/m0/s1
• InChIKey: NVIJFUDECKEJJY-VABKMULXSA-N

Properties

• Density: 1.25g/cm³ (Cal.)