2-[2-[[1-[2-[[5-azanyl-2-[[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-[[1-[2-[[5-azanyl-2-[[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[2-[[1-[2-[[5-amino-2-[[2-[[2-[(2,5-diamino-5-oxo-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[[1-[2-[[5-amino-2-[[2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[2-[[1-[2-[[5-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[2-[[1-[2-[[5-amino-2-[[2-[[2-[(2,5-diamino-5-keto-pentanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]prolyl]amino]propanoylamino]-3-mercapto-propionic acid Formula: C40H59N11O11S MolecularWeight: 902.02856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)N

InChI

InChI=1S/C40H59N11O11S/c1-19(2)32(50-36(57)27(48-34(55)24(41)11-13-30(42)52)16-22-17-44-25-9-6-5-8-23(22)25)38(59)47-26(12-14-31(43)53)35(56)46-21(4)39(60)51-15-7-10-29(51)37(58)45-20(3)33(54)49-28(18-63)40(61)62/h5-6,8-9,17,19-21,24,26-29,32,44,63H,7,10-16,18,41H2,1-4H3,(H2,42,52)(H2,43,53)(H,45,58)(H,46,56)(H,47,59)(H,48,55)(H,49,54)(H,50,57)(H,61,62)