U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry UNKNOWN
Molecular Formula C43H68N10O29P2
Molecular Weight 1250.9971
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(N-ACETYL-.ALPHA.-MURAMOYL)-L-ALANYL-D-.GAMMA.-GLUTAMYL-ERYTHRO-6-CARBOXY-N6-GLYCYLLYSYL-D-ALANYL-D-ALANINE, 1'->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)

SMILES

C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC(NC(=O)CN)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1NC(C)=O)C(O)=O)C(O)=O

InChI

InChIKey=VTJREARKEOUCBY-DJFZRSPDSA-N
InChI=1S/C43H68N10O29P2/c1-16(34(62)47-18(3)39(66)67)46-37(65)21(7-6-8-22(40(68)69)50-28(58)13-44)49-26(56)10-9-23(41(70)71)51-35(63)17(2)45-36(64)19(4)78-33-29(48-20(5)55)42(80-24(14-54)31(33)60)81-84(75,76)82-83(73,74)77-15-25-30(59)32(61)38(79-25)53-12-11-27(57)52-43(53)72/h11-12,16-19,21-25,29-33,38,42,54,59-61H,6-10,13-15,44H2,1-5H3,(H,45,64)(H,46,65)(H,47,62)(H,48,55)(H,49,56)(H,50,58)(H,51,63)(H,66,67)(H,68,69)(H,70,71)(H,73,74)(H,75,76)(H,52,57,72)/t16-,17+,18-,19-,21+,22?,23-,24-,25-,29-,30-,31-,32-,33-,38-,42-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(N-ACETYL-.ALPHA.-MURAMOYL)-L-ALANYL-D-.GAMMA.-GLUTAMYL-ERYTHRO-6-CARBOXY-N6-GLYCYLLYSYL-D-ALANYL-D-ALANINE, 1'->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)
Common Name English
D-ALANINE, N-(N-ACETYL-.ALPHA.-MURAMOYL)-L-ALANYL-D-.GAMMA.-GLUTAMYL-ERYTHRO-6-CARBOXY-N6-GLYCYLLYSYL-D-ALANYL-, 1'->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
91667730
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY
MERCK INDEX
m8415
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY Merck Index
CAS
120010-32-4
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY
FDA UNII
4GLG63A60A
Created by admin on Sat Dec 16 18:32:21 GMT 2023 , Edited by admin on Sat Dec 16 18:32:21 GMT 2023
PRIMARY