3,5,8,11-Tetraazatetradecanoic acid, 13-amino-9-[[[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]amino]carbonyl]-14-(3-hydroxyphenyl)-2-[(3-hydroxyphenyl)methyl]-10,11-dimethyl-6-[2-(methylthio)ethyl]-4,7,12-trioxo-, stereoisomer

CAS Registry Number®

114797-04-5

CAS Name

3,5,8,11-Tetraazatetradecanoic acid, 13-amino-9-[[[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]amino]carbonyl]-14-(3-hydroxyphenyl)-2-[(3-hydroxyphenyl)methyl]-10,11-dimethyl-6-[2-(methylthio)ethyl]-4,7,12-trioxo-, stereoisomer

Molecular Formula

C38H48N8O12S

Molecular Mass

840.90

Cite this Page

3,5,8,11-Tetraazatetradecanoic acid, 13-amino-9-[[[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]amino]carbonyl]-14-(3-hydroxyphenyl)-2-[(3-hydroxyphenyl)methyl]-10,11-dimethyl-6-[2-(methylthio)ethyl]-4,7,12-trioxo-, stereoisomer.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114797-04-5 (retrieved 2025-01-10) (CAS RN: 114797-04-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)

InChIKey

InChIKey=LLINEOOFHRQODR-UHFFFAOYSA-N

SMILES

OC1C(OC(=CNC(C(NC(C(NC(NC(CC2=CC(O)=CC=C2)C(O)=O)=O)CCSC)=O)C(N(C(C(CC3=CC(O)=CC=C3)N)=O)C)C)=O)C1)N4C(=O)NC(=O)C=C4

Canonical SMILES

O=C1C=CN(C(=O)N1)C2OC(=CNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)CC=3C=CC=C(O)C3)CCSC)C(N(C(=O)C(N)CC=4C=CC=C(O)C4)C)C)CC2O

Other Names for this Substance

  • 3,5,8,11-Tetraazatetradecanoic acid, 13-amino-9-[[[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]amino]carbonyl]-14-(3-hydroxyphenyl)-2-[(3-hydroxyphenyl)methyl]-10,11-dimethyl-6-[2-(methylthio)ethyl]-4,7,12-trioxo-, stereoisomer
  • Butanamide, N-[[[1-carboxy-2-(3-hydroxyphenyl)ethyl]amino]carbonyl]methionyl-N-[[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene]methyl]-N3-(3-hydroxyphenylalanyl)-N3-methyl-D-2,3-diamino-
  • Mureidomycin A

CAS INSIGHTSTM
Antibodies (immunoglobulins) are responsible for specific immunity