6-azanyl-2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide

Systemtic Name: 6-azanyl-2-[[2-(2-azanylpropanoylamino)-3-phenyl-propanoyl]amino]-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide Openeye Name: 6-amino-2-[[2-(2-aminopropanoylamino)-3-phenyl-propanoyl]amino]-N-(4-methyl-2-oxo-chromen-7-yl)hexanamide CAS Name: 6-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-N-(4-methyl-2-oxo-1-benzopyran-7-yl)hexanamide IUPAC Name: 6-amino-2-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide Traditional Name: 2-[[2-(alanylamino)-3-phenyl-propanoyl]amino]-6-amino-N-(2-keto-4-methyl-chromen-7-yl)hexanamide Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)N

InChI

InChI=1S/C28H35N5O5/c1-17-14-25(34)38-24-16-20(11-12-21(17)24)31-27(36)22(10-6-7-13-29)32-28(37)23(33-26(35)18(2)30)15-19-8-4-3-5-9-19/h3-5,8-9,11-12,14,16,18,22-23H,6-7,10,13,15,29-30H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)