(2S)-2-azanyl-10-[(1-azanyl-3-carboxy-2-oxidanylidene-pentan-3-yl)amino]-6-ethyl-5,10-bis(oxidanylidene)decanoic acid

Systemtic Name: (2S)-2-azanyl-10-[(1-azanyl-3-carboxy-2-oxidanylidene-pentan-3-yl)amino]-6-ethyl-5,10-bis(oxidanylidene)decanoic acid Openeye Name: (2S)-2-amino-10-[(3-amino-1-carboxy-1-ethyl-2-oxo-propyl)amino]-6-ethyl-5,10-dioxo-decanoic acid CAS Name: (2S)-2-amino-10-[(1-amino-3-carboxy-2-oxopentan-3-yl)amino]-6-ethyl-5,10-dioxodecanoic acid IUPAC Name: (2S)-2-amino-10-[(1-amino-3-carboxy-2-oxopentan-3-yl)amino]-6-ethyl-5,10-dioxodecanoic acid Traditional Name: (2S)-2-amino-10-[(3-amino-1-carboxy-1-ethyl-2-keto-propyl)amino]-6-ethyl-5,10-diketo-capric acid Formula: C18H31N3O7 MolecularWeight: 401.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)NC(CC)(C(=O)CN)C(=O)O)C(=O)CCC(C(=O)O)N

Isomeric SMILES

CCC(CCCC(=O)NC(CC)(C(=O)CN)C(=O)O)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H31N3O7/c1-3-11(13(22)9-8-12(20)16(25)26)6-5-7-15(24)21-18(4-2,17(27)28)14(23)10-19/h11-12H,3-10,19-20H2,1-2H3,(H,21,24)(H,25,26)(H,27,28)/t11?,12-,18?/m0/s1