(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C33H48N8O8 MolecularWeight: 684.78302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C33H48N8O8/c1-17(2)12-23(31(46)40-28(18(3)4)33(48)49)39-32(47)25-10-7-11-41(25)27(43)16-37-30(45)24(38-29(44)21(34)14-26(35)42)13-19-15-36-22-9-6-5-8-20(19)22/h5-6,8-9,15,17-18,21,23-25,28,36H,7,10-14,16,34H2,1-4H3,(H2,35,42)(H,37,45)(H,38,44)(H,39,47)(H,40,46)(H,48,49)/t21-,23-,24-,25-,28-/m0/s1