2-[2-(2-azanylethanoylamino)propanoyl-naphthalen-2-yl-amino]-3-(1-azanylisoquinolin-7-yl)-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 2-[2-(2-azanylethanoylamino)propanoyl-naphthalen-2-yl-amino]-3-(1-azanylisoquinolin-7-yl)-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 2-[2-[(2-aminoacetyl)amino]propanoyl-(2-naphthyl)amino]-3-(1-amino-7-isoquinolyl)-3-oxo-2-phenyl-propanoic acid CAS Name: 3-(1-amino-7-isoquinolinyl)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-(2-naphthalenyl)amino]-3-oxo-2-phenylpropanoic acid IUPAC Name: 2-[2-[(2-aminoacetyl)amino]propanoyl-naphthalen-2-ylamino]-3-(1-aminoisoquinolin-7-yl)-3-oxo-2-phenylpropanoic acid Traditional Name: 3-(1-amino-7-isoquinolyl)-2-[2-(glycylamino)propanoyl-(2-naphthyl)amino]-3-keto-2-phenyl-propionic acid Formula: C33H29N5O5 MolecularWeight: 575.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC2=CC=CC=C2C=C1)C(C3=CC=CC=C3)(C(=O)C4=CC5=C(C=C4)C=CN=C5N)C(=O)O)NC(=O)CN

Isomeric SMILES

CC(C(=O)N(C1=CC2=CC=CC=C2C=C1)C(C3=CC=CC=C3)(C(=O)C4=CC5=C(C=C4)C=CN=C5N)C(=O)O)NC(=O)CN

InChI

InChI=1S/C33H29N5O5/c1-20(37-28(39)19-34)31(41)38(26-14-13-21-7-5-6-8-23(21)17-26)33(32(42)43,25-9-3-2-4-10-25)29(40)24-12-11-22-15-16-36-30(35)27(22)18-24/h2-18,20H,19,34H2,1H3,(H2,35,36)(H,37,39)(H,42,43)