4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-[(2S)-1-(butylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide

Systemtic Name: 4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-[(2S)-1-(butylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide Openeye Name: 4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-[(1S)-1-benzyl-2-(butylamino)-2-oxo-ethyl]chromane-8-carboxamide CAS Name: 4-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-[(2S)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-carboxamide IUPAC Name: 4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-[(2S)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-2H-chromene-8-carboxamide Traditional Name: 4-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-[(1S)-1-benzyl-2-(butylamino)-2-keto-ethyl]chroman-8-carboxamide Formula: C26H36N4O3S MolecularWeight: 484.65404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C3C(=CC=C2)C(CCO3)NCC(CS)N

Isomeric SMILES

CCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C3C(=CC=C2)C(CCO3)NC[C@H](CS)N

InChI

InChI=1S/C26H36N4O3S/c1-2-3-13-28-26(32)23(15-18-8-5-4-6-9-18)30-25(31)21-11-7-10-20-22(12-14-33-24(20)21)29-16-19(27)17-34/h4-11,19,22-23,29,34H,2-3,12-17,27H2,1H3,(H,28,32)(H,30,31)/t19-,22?,23+/m1/s1