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

Systemtic Name: N-[(2S)-1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-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-[(4-nitrophenyl)methyl]-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-3-(4-nitrophenyl)-1-oxopropan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-carboxamide IUPAC Name: N-[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3,4-dihydro-2H-chromene-8-carboxamide Traditional Name: N-[(1S)-2-amino-2-keto-1-(4-nitrobenzyl)ethyl]-4-[[(2R)-2-amino-3-mercapto-propyl]amino]chroman-8-carboxamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2C1NCC(CS)N)C(=O)NC(CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O5S/c23-14(12-33)11-25-18-8-9-32-20-16(18)2-1-3-17(20)22(29)26-19(21(24)28)10-13-4-6-15(7-5-13)27(30)31/h1-7,14,18-19,25,33H,8-12,23H2,(H2,24,28)(H,26,29)/t14-,18?,19+/m1/s1