Lysyl-histidyl-phenylalanyl-arginyl-tryptophyl-glycinamide
[CAS# 124051-38-3]

Identification

• Name: Lysyl-histidyl-phenylalanyl-arginyl-tryptophyl-glycinamide
• Synonyms: (2S)-2,6-Diamino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2-Amino-2-Oxo-Ethyl)Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Hexanamide; (2S)-2,6-Diamino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[(1S)-2-[(2-Amino-2-Oxoethyl)Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Hexanamide; (2S)-2,6-Diamino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2-Amino-2-Keto-Ethyl)Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(4H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Hexanamide
• Molecular Formula: C₄₀H₅₆N₁₄O₆
• Molecular Weight: 828.97
• CAS Registry Number: 124051-38-3
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)CC1N=CN=C1)CC2=CC=CC=C2)(CCCN=C(N)N)C(=O)N[C@@H](CC3=C[NH]C4=CC=CC=C34)C(=O)NCC(=O)N
• InChI: 1S/C40H56N14O6/c41-15-7-6-12-28(42)35(56)52-33(19-26-21-46-23-50-26)39(60)53-31(17-24-9-2-1-3-10-24)38(59)51-30(14-8-16-47-40(44)45)37(58)54-32(36(57)49-22-34(43)55)18-25-20-48-29-13-5-4-11-27(25)29/h1-5,9-11,13,20-21,23,26,28,30-33,48H,6-8,12,14-19,22,41-42H2,(H2,43,55)(H,49,57)(H,51,59)(H,52,56)(H,53,60)(H,54,58)(H4,44,45,47)/t26?,28-,30-,31-,32-,33-/m0/s1
• InChIKey: GCUIUNOPGLCPEK-IUUMMYRWSA-N

Properties

• Density: 1.454g/cm³ (Cal.)