(2S)-2-[2-[4-(2-acetamido-7-azanyl-heptanoyl)phenyl]ethanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[2-[4-(2-acetamido-7-azanyl-heptanoyl)phenyl]ethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-[4-(2-acetamido-7-amino-heptanoyl)phenyl]acetyl]amino]butanedioic acid CAS Name: (2S)-2-[[2-[4-(2-acetamido-7-amino-1-oxoheptyl)phenyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-[4-(2-acetamido-7-aminoheptanoyl)phenyl]acetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-[4-(2-acetamido-7-amino-heptanoyl)phenyl]acetyl]amino]succinic acid Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCCN)C(=O)C1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCCCCN)C(=O)C1=CC=C(C=C1)CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C21H29N3O7/c1-13(25)23-16(5-3-2-4-10-22)20(29)15-8-6-14(7-9-15)11-18(26)24-17(21(30)31)12-19(27)28/h6-9,16-17H,2-5,10-12,22H2,1H3,(H,23,25)(H,24,26)(H,27,28)(H,30,31)/t16?,17-/m0/s1