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

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-amino-N-(4-methyl-2-oxo-chromen-7-yl)hexanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-6-amino-N-(4-methyl-2-oxo-1-benzopyran-7-yl)hexanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-amino-N-(4-methyl-2-oxochromen-7-yl)hexanamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-amino-N-(2-keto-4-methyl-chromen-7-yl)hexanamide Formula: C27H32N4O5 MolecularWeight: 492.56678

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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

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C27H32N4O5/c1-17-14-25(33)36-24-16-20(11-12-21(17)24)30-26(34)22(10-6-7-13-28)31-27(35)23(29-18(2)32)15-19-8-4-3-5-9-19/h3-5,8-9,11-12,14,16,22-23H,6-7,10,13,15,28H2,1-2H3,(H,29,32)(H,30,34)(H,31,35)/t22-,23-/m0/s1