(3S)-3-[[2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-1-Hydroxy-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 110697-46-6]

Identification

• Name: (3S)-3-[[2-[[(2S)-2-Amino-5-(Diaminomethylideneamino)Pentanoyl]Amino]Acetyl]Amino]-4-[[(2S)-1-Hydroxy-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-4-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[2-[[(2S)-2-Amino-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]-4-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₁H₃₁N₇O₇
• Molecular Weight: 493.52
• CAS Registry Number: 110697-46-6
• SMILES: [C@@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)(C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)CC(O)=O
• InChI: 1S/C21H31N7O7/c22-13(7-4-8-25-21(23)24)18(32)26-11-16(29)27-14(10-17(30)31)19(33)28-15(20(34)35)9-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,22H2,(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)(H4,23,24,25)/t13-,14-,15-/m0/s1
• InChIKey: ARNGIGOPGOEJCH-KKUMJFAQSA-N

Properties

• Density: 1.487g/cm³ (Cal.)