2-(phenylmethoxycarbonylamino)-4-(2-pyrrolo[3,2-c]pyridin-1-ylethanoylamino)butanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-4-(2-pyrrolo[3,2-c]pyridin-1-ylethanoylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]butanoic acid CAS Name: 4-[[1-oxo-2-(1-pyrrolo[3,2-c]pyridinyl)ethyl]amino]-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-4-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-[(2-pyrrolo[3,2-c]pyridin-1-ylacetyl)amino]butyric acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCNC(=O)CN2C=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCNC(=O)CN2C=CC3=C2C=CN=C3)C(=O)O

InChI

InChI=1S/C21H22N4O5/c26-19(13-25-11-8-16-12-22-9-7-18(16)25)23-10-6-17(20(27)28)24-21(29)30-14-15-4-2-1-3-5-15/h1-5,7-9,11-12,17H,6,10,13-14H2,(H,23,26)(H,24,29)(H,27,28)