(2S)-2-[[(2S)-2-[(2-Amino-4-Methylpentyl)-Methylamino]-4-Methylpentanoyl]Amino]-N-[(2S)-3-(1H-Indol-3-Yl)-1-Oxo-1-[[(2S)-1-Oxo-1-(2-Oxoethylideneamino)-3-Phenylpropan-2-Yl]Amino]Propan-2-Yl]Pentanediamide
[CAS# 135721-56-1]

Identification

• Name: (2S)-2-[[(2S)-2-[(2-Amino-4-Methylpentyl)-Methylamino]-4-Methylpentanoyl]Amino]-N-[(2S)-3-(1H-Indol-3-Yl)-1-Oxo-1-[[(2S)-1-Oxo-1-(2-Oxoethylideneamino)-3-Phenylpropan-2-Yl]Amino]Propan-2-Yl]Pentanediamide
• Synonyms: (2S)-2-[[(2S)-2-[(2-Amino-4-Methyl-Pentyl)-Methyl-Amino]-4-Methyl-Pentanoyl]Amino]-N-[(1S)-1-(1H-Indol-3-Ylmethyl)-2-Oxo-2-[[(1S)-2-Oxo-2-(2-Oxoethylideneamino)-1-(Phenylmethyl)Ethyl]Amino]Ethyl]Pentanediamide; (2S)-2-[[(2S)-2-[(2-Amino-4-Methylpentyl)-Methylamino]-4-Methyl-1-Oxopentyl]Amino]-N-[(1S)-1-(1H-Indol-3-Ylmethyl)-2-Oxo-2-[[(1S)-2-Oxo-2-(2-Oxoethylideneamino)-1-(Phenylmethyl)Ethyl]Amino]Ethyl]Pentanediamide; (2S)-2-[[(2S)-2-[(2-Amino-4-Methyl-Pentyl)-Methyl-Amino]-4-Methyl-Pentanoyl]Amino]-N-[(1S)-2-[[(1S)-1-(Benzyl)-2-Keto-2-(2-Ketoethylideneamino)Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Glutaramide
• Molecular Formula: C₄₀H₅₆N₈O₆
• Molecular Weight: 744.93
• CAS Registry Number: 135721-56-1
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(CC(N)CC(C)C)C)CC(C)C)CCC(=O)N)(CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@H](C(=O)N=CC=O)CC3=CC=CC=C3
• InChI: 1S/C40H56N8O6/c1-25(2)19-29(41)24-48(5)35(20-26(3)4)40(54)45-32(15-16-36(42)50)38(52)47-34(22-28-23-44-31-14-10-9-13-30(28)31)39(53)46-33(37(51)43-17-18-49)21-27-11-7-6-8-12-27/h6-14,17-18,23,25-26,29,32-35,44H,15-16,19-22,24,41H2,1-5H3,(H2,42,50)(H,45,54)(H,46,53)(H,47,52)/t29?,32-,33-,34-,35-/m0/s1
• InChIKey: DBIVSFCCTOEQTP-CITGXELPSA-N