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

Systemtic Name: 2-[[2-[2-[[2-[[2-[[2-[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxy-butanoyl)amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxy-butanoyl)amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C48H66N10O12 MolecularWeight: 975.09744

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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(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(C(C)O)N

Isomeric SMILES

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

InChI

InChI=1S/C48H66N10O12/c1-23(2)16-34(54-42(63)26(6)53-47(68)40(49)27(7)59)44(65)57-37(20-39(60)61)46(67)56-35(18-28-21-50-32-14-10-8-12-30(28)32)43(64)52-25(5)41(62)55-36(45(66)58-38(48(69)70)17-24(3)4)19-29-22-51-33-15-11-9-13-31(29)33/h8-15,21-27,34-38,40,50-51,59H,16-20,49H2,1-7H3,(H,52,64)(H,53,68)(H,54,63)(H,55,62)(H,56,67)(H,57,65)(H,58,66)(H,60,61)(H,69,70)