N-[(3S,4S)-1-(3-imidazol-1-ylpropylamino)-4-methyl-2-oxidanylidene-hexan-3-yl]-2-[(4-methoxyphenyl)carbonylamino]benzamide

Systemtic Name: N-[(3S,4S)-1-(3-imidazol-1-ylpropylamino)-4-methyl-2-oxidanylidene-hexan-3-yl]-2-[(4-methoxyphenyl)carbonylamino]benzamide Openeye Name: N-[(1S,2S)-1-[2-(3-imidazol-1-ylpropylamino)acetyl]-2-methyl-butyl]-2-[(4-methoxybenzoyl)amino]benzamide CAS Name: N-[(3S,4S)-1-[3-(1-imidazolyl)propylamino]-4-methyl-2-oxohexan-3-yl]-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide IUPAC Name: N-[(3S,4S)-1-(3-imidazol-1-ylpropylamino)-4-methyl-2-oxohexan-3-yl]-2-[(4-methoxybenzoyl)amino]benzamide Traditional Name: N-[(1S,2S)-1-[2-(3-imidazol-1-ylpropylamino)acetyl]-2-methyl-butyl]-2-(p-anisoylamino)benzamide Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)CNCCCN1C=CN=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)CNCCCN1C=CN=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H35N5O4/c1-4-20(2)26(25(34)18-29-14-7-16-33-17-15-30-19-33)32-28(36)23-8-5-6-9-24(23)31-27(35)21-10-12-22(37-3)13-11-21/h5-6,8-13,15,17,19-20,26,29H,4,7,14,16,18H2,1-3H3,(H,31,35)(H,32,36)/t20-,26-/m0/s1