[(N-{3-[(N-{cyclohexyl[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropylalanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid (Q27458477)

CID11840926 (English)

19 October 2016

chemical formula

C₃₆H₅₁N₅O₉

1 reference

CID11840926 (English)

19 October 2016

canonical SMILES

CC(C)COC(=O)NC(C1CCCCC1)C(=O)NC(CC2CC2)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=O)NC(C4=CC=CC=C4)C(=O)O

1 reference

CID11840926 (English)

19 October 2016

isomeric SMILES

CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@@H](C4=CC=CC=C4)C(=O)O

1 reference

CID11840926 (English)

InChI=1S/C36H51N5O9/c1-21(2)20-50-36(49)41-29(24-9-5-3-6-10-24)33(45)39-27(18-23-15-16-23)32(44)38-26(17-22-13-14-22)31(43)34(46)37-19-28(42)40-30(35(47)48)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26-27,29-30H,3,5-6,9-10,13-20H2,1-2H3,(H,37,46)(H,38,44)(H,39,45)(H,40,42)(H,41,49)(H,47,48)/t26-,27-,29-,30-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CID11840926 (English)

VZZMJPCOMQVXJP-ZHTHUIBPSA-N

19 October 2016

InChIKey

1 reference

CID11840926 (English)

19 October 2016

1 reference

(2S)-[(N-{(3S)-3-[(N-{(2S)-2-Cyclohexyl-2-[(isobutoxycarbonyl)amino]acetyl}-3-cyclopropyl-L-alanyl)amino]-4-cyclopropyl-2-oxobutanoyl}glycyl)amino](phenyl)acetic acid (English)

19 October 2016

2 references