N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S,3S,6S)-3-[2-[[(2S)-1-[[(2S)-1-(methylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-prop-2-enoxy-3,6-dihydro-2H-pyran-6-yl]methylamino]-1-oxidanylidene-propan-2-yl]-2-phenyl-benzamide

Systemtic Name: N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S,3S,6S)-3-[2-[[(2S)-1-[[(2S)-1-(methylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-2-prop-2-enoxy-3,6-dihydro-2H-pyran-6-yl]methylamino]-1-oxidanylidene-propan-2-yl]-2-phenyl-benzamide Openeye Name: N-[(1S)-2-[[(2S,3S,6S)-2-allyloxy-3-[2-[[(1S)-1-benzyl-2-[[(1S)-1-(methylcarbamoyl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-3,6-dihydro-2H-pyran-6-yl]methylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-2-phenyl-benzamide CAS Name: N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S,3S,6S)-3-[2-[[(2S)-1-[[(2S)-1-(methylamino)-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-prop-2-enoxy-3,6-dihydro-2H-pyran-6-yl]methylamino]-1-oxopropan-2-yl]-2-phenylbenzamide IUPAC Name: N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S,3S,6S)-3-[2-[[(2S)-1-[[(2S)-1-(methylamino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-2-prop-2-enoxy-3,6-dihydro-2H-pyran-6-yl]methylamino]-1-oxopropan-2-yl]-2-phenylbenzamide Traditional Name: N-[(1S)-2-[[(2S,3S,6S)-2-allyloxy-3-[2-[[(1S)-1-benzyl-2-keto-2-[[(1S)-1-(methylcarbamoyl)-3-(methylthio)propyl]amino]ethyl]amino]-2-keto-ethyl]-3,6-dihydro-2H-pyran-6-yl]methylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]-2-phenyl-benzamide Formula: C48H55N5O8S MolecularWeight: 862.044

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)CC2C=CC(OC2OCC=C)CNC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[C@H]2C=C[C@H](O[C@@H]2OCC=C)CNC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C48H55N5O8S/c1-4-26-60-48-35(30-43(55)51-42(28-32-13-7-5-8-14-32)47(59)52-40(25-27-62-3)45(57)49-2)21-24-37(61-48)31-50-46(58)41(29-33-19-22-36(54)23-20-33)53-44(56)39-18-12-11-17-38(39)34-15-9-6-10-16-34/h4-24,35,37,40-42,48,54H,1,25-31H2,2-3H3,(H,49,57)(H,50,58)(H,51,55)(H,52,59)(H,53,56)/t35-,37+,40+,41+,42+,48+/m1/s1