(2S)-2-[[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid (Q27187140)

MLS001142816 (English)

10 October 2016

chemical formula

C₂₆H₃₃N₃O₆S

1 reference

MLS001142816 (English)

10 October 2016

canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C(=O)O

1 reference

MLS001142816 (English)

10 October 2016

isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)O

1 reference

MLS001142816 (English)

InChI=1S/C26H33N3O6S/c1-17(2)22(28-36(34,35)21-11-9-18(3)10-12-21)25(31)29-15-13-20(14-16-29)24(30)27-23(26(32)33)19-7-5-4-6-8-19/h4-12,17,20,22-23,28H,13-16H2,1-3H3,(H,27,30)(H,32,33)/t22-,23-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

MLS001142816 (English)

BUKIYBRHWQNVOV-GOTSBHOMSA-N

10 October 2016

InChIKey

2 references

MLS001142816 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-{[(1-{N-[(4-Methylphenyl)sulfonyl]-L-valyl}-4-piperidinyl)carbonyl]amino}(phenyl)acetic acid (English)

10 October 2016

1 reference

MLS001142816 (English)

10 October 2016

ChEBI ID

108366

mapping relation type

1 reference

(2S)-2-[[[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid (English)

10 October 2016

1 reference