2-[[5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-oxidanylidene-pentanoyl]amino]butanedioic acid

Systemtic Name: 2-[[5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-oxidanylidene-pentanoyl]amino]butanedioic acid Openeye Name: 2-[[5-amino-2-[(2-amino-3-phenyl-propanoyl)amino]-5-oxo-pentanoyl]amino]butanedioic acid CAS Name: 2-[[5-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1,5-dioxopentyl]amino]butanedioic acid IUPAC Name: 2-[[5-amino-2-[(2-amino-3-phenylpropanoyl)amino]-5-oxopentanoyl]amino]butanedioic acid Traditional Name: 2-[[5-amino-5-keto-2-(phenylalanylamino)pentanoyl]amino]succinic acid Formula: C18H24N4O7 MolecularWeight: 408.40576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C18H24N4O7/c19-11(8-10-4-2-1-3-5-10)16(26)21-12(6-7-14(20)23)17(27)22-13(18(28)29)9-15(24)25/h1-5,11-13H,6-9,19H2,(H2,20,23)(H,21,26)(H,22,27)(H,24,25)(H,28,29)