2-[[4-azanyl-2-[[1-[4-azanyl-4-oxidanylidene-2-[[1-[1-(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[4-azanyl-2-[[1-[4-azanyl-4-oxidanylidene-2-[[1-[1-(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylpyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: 2-[[4-amino-2-[[1-[4-amino-4-oxo-2-[[1-[1-[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]butanedioic acid CAS Name: 2-[[4-amino-2-[[[1-[4-amino-1,4-dioxo-2-[[oxo-[1-[oxo-[1-[oxo-[1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]butanedioic acid IUPAC Name: 2-[[4-amino-2-[[1-[4-amino-4-oxo-2-[[1-[1-[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]butanedioic acid Traditional Name: 2-[[4-amino-2-[[1-[4-amino-4-keto-2-[[1-[1-(1-prolylprolyl)prolyl]prolyl]amino]butanoyl]prolyl]amino]-4-keto-butanoyl]amino]succinic acid Formula: C37H54N10O13 MolecularWeight: 846.88386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CC(=O)N)C(=O)N5CCCC5C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CC(=O)N)C(=O)N5CCCC5C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C37H54N10O13/c38-27(48)16-20(30(52)43-22(37(59)60)18-29(50)51)41-31(53)23-7-2-12-44(23)34(56)21(17-28(39)49)42-32(54)24-8-3-13-45(24)35(57)26-10-5-15-47(26)36(58)25-9-4-14-46(25)33(55)19-6-1-11-40-19/h19-26,40H,1-18H2,(H2,38,48)(H2,39,49)(H,41,53)(H,42,54)(H,43,52)(H,50,51)(H,59,60)