(2S)-2-azanyl-N-[(2R)-1-[2-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]-methyl-amino]ethanoylamino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2R)-1-[2-[[(2S)-4-chloranyl-3-oxidanylidene-1-phenyl-butan-2-yl]-methyl-amino]ethanoylamino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: (2S)-2-amino-N-[(1R)-2-[[2-[[(1S)-1-benzyl-3-chloro-2-oxo-propyl]-methyl-amino]acetyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-methylamino]-1-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-methylamino]acetyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-2-amino-N-[(1R)-2-[[2-[[(1S)-1-benzyl-3-chloro-2-keto-propyl]-methyl-amino]acetyl]amino]-2-keto-1-methyl-ethyl]-3-(4-hydroxyphenyl)propionamide Formula: C25H31ClN4O5 MolecularWeight: 502.99044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)CN(C)C(CC1=CC=CC=C1)C(=O)CCl)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C[C@H](C(=O)NC(=O)CN(C)[C@@H](CC1=CC=CC=C1)C(=O)CCl)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C25H31ClN4O5/c1-16(28-25(35)20(27)12-18-8-10-19(31)11-9-18)24(34)29-23(33)15-30(2)21(22(32)14-26)13-17-6-4-3-5-7-17/h3-11,16,20-21,31H,12-15,27H2,1-2H3,(H,28,35)(H,29,33,34)/t16-,20+,21+/m1/s1