metkephamid acetate (Q27266420)

Metkephamid acetate (English)

14 October 2016

chemical formula

C₃₁H₄₄N₆O₈S

1 reference

Metkephamid acetate (English)

14 October 2016

canonical SMILES

CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CCSC)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N.CC(=O)O

1 reference

Metkephamid acetate (English)

14 October 2016

isomeric SMILES

C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C)[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N.CC(=O)O

1 reference

Metkephamid acetate (English)

InChI=1S/C29H40N6O6S.C2H4O2/c1-18(33-28(40)22(30)15-20-9-11-21(36)12-10-20)27(39)32-17-25(37)34-23(16-19-7-5-4-6-8-19)29(41)35(2)24(26(31)38)13-14-42-3;1-2(3)4/h4-12,18,22-24,36H,13-17,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37);1H3,(H,3,4)/t18-,22+,23+,24+;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

Metkephamid acetate (English)

MCEMSMUXOSFTJG-KBUZRCILSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Metkephamid acetate (English)

14 October 2016

1 reference

UNII

75Y5J06JPC

metkephamid acetate (English)

14 October 2016

1 reference

L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-N~2~-methyl-L-methioninamide acetate (1:1) (English)

14 October 2016

1 reference

Metkephamid acetate (English)

14 October 2016

1 reference

matched by identifier from

METKEPHAMID ACETATE (English)

14 October 2016

2 references

inferred from InChIKey

InChIKey

MCEMSMUXOSFTJG-KBUZRCILSA-N

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

75Y5J06JPC

metkephamid acetate (English)