2-[2-[[1-[2-(2-azanylethanoylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[1-[2-(2-azanylethanoylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[[1-[2-[(2-aminoacetyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[[[1-[2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[1-[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[[1-[2-(glycylamino)-3-methyl-butanoyl]prolyl]amino]acetyl]amino]succinic acid Formula: C18H29N5O8 MolecularWeight: 443.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)NC(=O)CN

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)NC(=O)CN

InChI

InChI=1S/C18H29N5O8/c1-9(2)15(22-12(24)7-19)17(29)23-5-3-4-11(23)16(28)20-8-13(25)21-10(18(30)31)6-14(26)27/h9-11,15H,3-8,19H2,1-2H3,(H,20,28)(H,21,25)(H,22,24)(H,26,27)(H,30,31)