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

Systemtic Name: 5-azanyl-2-[2-[[2-[[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-5-keto-valeric acid Formula: C43H56N10O12 MolecularWeight: 904.96454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CO)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CO)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)O)N

InChI

InChI=1S/C43H56N10O12/c1-21(2)14-27(44)38(59)50-33(17-36(56)57)41(62)51-32(16-24-19-47-29-11-7-5-9-26(24)29)40(61)53-34(20-54)42(63)52-31(15-23-18-46-28-10-6-4-8-25(23)28)39(60)48-22(3)37(58)49-30(43(64)65)12-13-35(45)55/h4-11,18-19,21-22,27,30-34,46-47,54H,12-17,20,44H2,1-3H3,(H2,45,55)(H,48,60)(H,49,58)(H,50,59)(H,51,62)(H,52,63)(H,53,61)(H,56,57)(H,64,65)