methyl N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-thiophen-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate (Q27460544)

CHEMBL3221576 (English)

19 October 2016

chemical formula

C₃₈H₅₃N₅O₆S

1 reference

CHEMBL3221576 (English)

19 October 2016

canonical SMILES

CC(C)(C)C(C(=O)NC)NC(=O)C(CCCN(CC1=CC=C(C=C1)C2=CSC=C2)NC(=O)C(C(C)(C)C)NC(=O)OC)(CC3=CC=CC=C3)O

1 reference

CHEMBL3221576 (English)

19 October 2016

isomeric SMILES

CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCCN(CC1=CC=C(C=C1)C2=CSC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(CC3=CC=CC=C3)O

1 reference

CHEMBL3221576 (English)

InChI=1S/C38H53N5O6S/c1-36(2,3)30(32(44)39-7)40-34(46)38(48,23-26-13-10-9-11-14-26)20-12-21-43(42-33(45)31(37(4,5)6)41-35(47)49-8)24-27-15-17-28(18-16-27)29-19-22-50-25-29/h9-11,13-19,22,25,30-31,48H,12,20-21,23-24H2,1-8H3,(H,39,44)(H,40,46)(H,41,47)(H,42,45)/t30-,31-,38-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3221576 (English)

XNAIGGHDLWCRFU-SQQFMCCZSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3221576 (English)

19 October 2016

1 reference

Methyl [(2S)-1-{2-[(4R)-4-benzyl-5-{[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-2-butanyl]amino}-4-hydroxy-5-oxopentyl]-2-[4-(3-thienyl)benzyl]hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-prefe (English)

19 October 2016

1 reference