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2-[[1-[[1-[[(Z)-[5-(2,4-Dioxo-1,3-Diazinan-1-Yl)-4-Hydroxyoxolan-2-Ylidene]Methyl]Amino]-3-[(6-Hydroxy-1-Methyl1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methylamino]-1-Oxobutan-2-Yl]Amino]-4-Methylsulfanyl-1-Oxobutan-2-Yl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid
[CAS# 144379-27-1]

Suppliers
CAS#: 144379-27-1
Product: 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxo-1,3-Diazinan-1-Yl)-4-Hydroxyoxolan-2-Ylidene]Methyl]Amino]-3-[(6-Hydroxy-1-Methyl1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methylamino]-1-Oxobutan-2-Yl]Amino]-4-Methylsulfanyl-1-Oxobutan-2-Yl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid
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Identification
Name 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxo-1,3-Diazinan-1-Yl)-4-Hydroxyoxolan-2-Ylidene]Methyl]Amino]-3-[(6-Hydroxy-1-Methyl1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methylamino]-1-Oxobutan-2-Yl]Amino]-4-Methylsulfanyl-1-Oxobutan-2-Yl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid
Synonyms 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxohexahydropyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Ylidene]Methyl]Carbamoyl]-2-[(6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methyl-Amino]Propyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid; 2-[[[[1-[[[1-[[[(Z)-[5-(2,4-Dioxo-1-Hexahydropyrimidinyl)-4-Hydroxy-2-Tetrahydrofuranylidene]Methyl]Amino]-Oxomethyl]-2-[[(6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydroisoquinolin-3-Yl)-Oxomethyl]-Methylamino]Propyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-Oxomethyl]Amino]-3-(3-Hydroxyphenyl)Propanoic Acid; 2-[[1-[[1-[[(Z)-[5-(2,4-Diketohexahydropyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Ylidene]Methyl]Carbamoyl]-2-[(6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methyl-Amino]Propyl]Carbamoyl]-3-(Methylthio)Propyl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propionic Acid
Molecular Structure CAS#: 144379-27-1, 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxo-1,3-Diazinan-1-Yl)-4-Hydroxyoxolan-2-Ylidene]Methyl]Amino]-3-[(6-Hydroxy-1-Methyl1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methylamino]-1-Oxobutan-2-Yl]Amino]-4-Methylsulfanyl-1-Oxobutan-2-Yl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid
Molecular Formula C40H52N8O12S
Molecular Weight 868.96
CAS Registry Number 144379-27-1
SMILES C5=C4C(NC(C(N(C(C(C(N\C=C\2OC(N1C(NC(CC1)=O)=O)C(C2)O)=O)NC(C(NC(NC(C(=O)O)CC3=CC=CC(=C3)O)=O)CCSC)=O)C)C)=O)CC4=CC(=C5)O)C
InChI 1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-
InChIKey AZGANZVUWUCOGH-XHPQRKPJSA-N
Properties
Density 1.427g/cm3 (Cal.)
Market Analysis Reports
List of Reports Available for 2-[[1-[[1-[[(Z)-[5-(2,4-Dioxo-1,3-Diazinan-1-Yl)-4-Hydroxyoxolan-2-Ylidene]Methyl]Amino]-3-[(6-Hydroxy-1-Methyl1,2,3,4-Tetrahydroisoquinoline-3-Carbonyl)-Methylamino]-1-Oxobutan-2-Yl]Amino]-4-Methylsulfanyl-1-Oxobutan-2-Yl]Carbamoylamino]-3-(3-Hydroxyphenyl)Propanoic Acid
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