2-[3-aminocarbonyl-4-(2-azanylethanoyl)-5-[4-(2-azanylethyl)phenyl]carbonyl-3-ethyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-aminocarbonyl-4-(2-azanylethanoyl)-5-[4-(2-azanylethyl)phenyl]carbonyl-3-ethyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-aminoacetyl)-5-[4-(2-aminoethyl)benzoyl]-3-carbamoyl-3-ethyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[5-[[4-(2-aminoethyl)phenyl]-oxomethyl]-4-(2-amino-1-oxoethyl)-3-carbamoyl-3-ethyl-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-aminoacetyl)-5-[4-(2-aminoethyl)benzoyl]-3-carbamoyl-3-ethyl-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[5-[4-(2-aminoethyl)benzoyl]-3-carbamoyl-3-ethyl-4-glycyl-2-keto-piperazino]acetic acid Formula: C20H27N5O6 MolecularWeight: 433.45828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(CC(N1C(=O)CN)C(=O)C2=CC=C(C=C2)CCN)CC(=O)O)C(=O)N

Isomeric SMILES

CCC1(C(=O)N(CC(N1C(=O)CN)C(=O)C2=CC=C(C=C2)CCN)CC(=O)O)C(=O)N

InChI

InChI=1S/C20H27N5O6/c1-2-20(18(23)30)19(31)24(11-16(27)28)10-14(25(20)15(26)9-22)17(29)13-5-3-12(4-6-13)7-8-21/h3-6,14H,2,7-11,21-22H2,1H3,(H2,23,30)(H,27,28)