(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid (Q27453957)

CID72200264 (English)

19 October 2016

chemical formula

C₂₁H₃₀N₄O₅

1 reference

CID72200264 (English)

19 October 2016

canonical SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)CC(C(C)C)C(=O)NC(CC(=O)O)CO

1 reference

CID72200264 (English)

19 October 2016

isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)CO

1 reference

CID72200264 (English)

InChI=1S/C21H30N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,13,15-16,26H,8-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CID72200264 (English)

LAXUUUDZAVTGRW-HOTGVXAUSA-N

19 October 2016

InChIKey

1 reference

CID72200264 (English)

19 October 2016

1 reference

(3S)-4-Hydroxy-3-{[(2S)-2-isopropyl-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-4-oxobutanoyl]amino}butanoic acid (English)

19 October 2016

2 references

CID72200264 (English)

matched by identifier from

19 October 2016

InChIKey

LAXUUUDZAVTGRW-HOTGVXAUSA-N

1 reference

0 references

1 reference

3NS7 (English)