(2S)-2-(2-azanylethanoylamino)-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-phenyl-propanamide

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-phenyl-propanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-phenyl-propanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-3-phenylpropanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-phenylpropanamide Traditional Name: (2S)-2-(glycylamino)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-3-phenyl-propionamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)C(CC3=CC=CC=C3)NC(=O)CN)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CN)CC2OC(=C1)O

InChI

InChI=1S/C21H25N3O4/c1-13-9-20(26)28-18-11-15(7-8-16(13)18)23-21(27)17(24-19(25)12-22)10-14-5-3-2-4-6-14/h2-6,9,17-18,26H,7-8,10-12,22H2,1H3,(H,24,25)/t17-,18?/m0/s1