2-[[4-(aminomethyl)-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoic acid

Systemtic Name: 2-[[4-(aminomethyl)-2-chloranyl-phenyl]carbonylamino]-3-benzamido-propanoic acid Openeye Name: 2-[[4-(aminomethyl)-2-chloro-benzoyl]amino]-3-benzamido-propanoic acid CAS Name: 2-[[[4-(aminomethyl)-2-chlorophenyl]-oxomethyl]amino]-3-benzamidopropanoic acid IUPAC Name: 2-[[4-(aminomethyl)-2-chlorobenzoyl]amino]-3-benzamidopropanoic acid Traditional Name: 2-[[4-(aminomethyl)-2-chloro-benzoyl]amino]-3-benzamido-propionic acid Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CN)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)CN)Cl

InChI

InChI=1S/C18H18ClN3O4/c19-14-8-11(9-20)6-7-13(14)17(24)22-15(18(25)26)10-21-16(23)12-4-2-1-3-5-12/h1-8,15H,9-10,20H2,(H,21,23)(H,22,24)(H,25,26)