2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]acetic acid Formula: C31H45N9O10 MolecularWeight: 703.7433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)O)NC(=O)C(CO)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O)NC(=O)[C@H](CO)N

InChI

InChI=1S/C31H45N9O10/c1-15(2)9-21(38-27(46)18(32)14-41)29(48)39-22(10-16-12-35-19-6-4-3-5-17(16)19)30(49)40-23(11-25(34)43)31(50)37-20(7-8-24(33)42)28(47)36-13-26(44)45/h3-6,12,15,18,20-23,35,41H,7-11,13-14,32H2,1-2H3,(H2,33,42)(H2,34,43)(H,36,47)(H,37,50)(H,38,46)(H,39,48)(H,40,49)(H,44,45)/t18-,20-,21-,22-,23-/m0/s1