(2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]-3-Phenylpropanoyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-4-Oxobutanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 140436-66-4]

Identification

• Name: (2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]-3-Phenylpropanoyl]Amino]-3-Phenylpropanoyl]Amino]-4-Methylpentanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoyl]Amino]-4-Oxobutanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-4-Oxo-Butanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1,4-Dioxobutyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-4-Keto-Butanoyl]Proline
• Molecular Formula: C₄₂H₆₁N₁₁O₁₀
• Molecular Weight: 880.01
• CAS Registry Number: 140436-66-4
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CC2=CC=CC=C2)CC3=CC=CC=C3)CC(C)C)CCCN=C(N)N)CC(=O)N)C(O)=O
• InChI: 1S/C42H61N11O10/c1-24(2)19-29(37(58)48-28(15-9-17-47-42(45)46)36(57)52-32(22-34(44)55)40(61)53-18-10-16-33(53)41(62)63)50-39(60)31(21-26-13-7-4-8-14-26)51-38(59)30(49-35(56)27(43)23-54)20-25-11-5-3-6-12-25/h3-8,11-14,24,27-33,54H,9-10,15-23,43H2,1-2H3,(H2,44,55)(H,48,58)(H,49,56)(H,50,60)(H,51,59)(H,52,57)(H,62,63)(H4,45,46,47)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: HQIHHNMDIDWQTA-MRNVWEPHSA-N

Properties

• Density: 1.425g/cm³ (Cal.)