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

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3,4-dihydro-2H-chromene-8-carboxamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]chromane-8-carboxamide CAS Name: 4-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-carboxamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3,4-dihydro-2H-chromene-8-carboxamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-[[(2R)-2-amino-3-mercapto-propyl]amino]chroman-8-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2C1NCC(CS)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1COC2=C(C=CC=C2C1NC[C@H](CS)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H28N4O3S/c23-15(13-30)12-25-18-9-10-29-20-16(18)7-4-8-17(20)22(28)26-19(21(24)27)11-14-5-2-1-3-6-14/h1-8,15,18-19,25,30H,9-13,23H2,(H2,24,27)(H,26,28)/t15-,18?,19+/m1/s1