China (Mainland)
AG 2034 CAS NO.177575-17-6
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Keywords
- L-Glutamic acid, N-((5-(2-((6S)-2-amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido(5,4-bate)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-
- L-Glutamic acid, N-((5-(2-((6S)-2-amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido(5,4-bate)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-
- L-Glutamic acid, N-((5-(2-((6S)-2-amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido(5,4-bate)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-
Quick Details
- ProName: AG 2034
- CasNo: 177575-17-6
- Application: The AG 2034, with the CAS registry num...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The AG 2034, with the CAS registry num...
- LimitNum: 0 Metric Ton
Superiority
The AG 2034, with the CAS registry number of 177575-17-6, is also known as L-Glutamic acid, N-((5-(2-((6S)-2-amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido(5,4-bate)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-. This chemical's molecular formula is C18H21N5O6S2 and molecular weight is 467.519240. What's more, its IUPAC name is (2S)-2-[[5-[2-[(6S)-2-Amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-bate][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid.
Physical properties about the AG 2034 are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -5.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 165.6 Å2; (13)Index of Refraction: 1.794; (14)Molar Refractivity: 112.71 cm3; (15)Molar Volume: 264.9 cm3; (16)Surface Tension: 84.9 dyne/cm; (17)Density: 1.76 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)c1sc(cc1)CC[C@@H]2S\C3=C(/NC2)N\C(=N/C3=O)N)CCC(=O)O
(2) InChI: InChI=1/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9-,10-/m0/s1
(3) InChIKey: HHKAOUMVRGSKLS-UWVGGRQHBE
Details
The AG 2034, with the CAS registry number of 177575-17-6, is also known as L-Glutamic acid, N-((5-(2-((6S)-2-amino-4,6,7,8-tetrahydro-4-oxo-1H-pyrimido(5,4-bate)(1,4)thiazin-6-yl)ethyl)-2-thienyl)carbonyl)-. This chemical's molecular formula is C18H21N5O6S2 and molecular weight is 467.519240. What's more, its IUPAC name is (2S)-2-[[5-[2-[(6S)-2-Amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-bate][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid.
Physical properties about the AG 2034 are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -5.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 165.6 Å2; (13)Index of Refraction: 1.794; (14)Molar Refractivity: 112.71 cm3; (15)Molar Volume: 264.9 cm3; (16)Surface Tension: 84.9 dyne/cm; (17)Density: 1.76 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)c1sc(cc1)CC[C@@H]2S\C3=C(/NC2)N\C(=N/C3=O)N)CCC(=O)O
(2) InChI: InChI=1/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9-,10-/m0/s1
(3) InChIKey: HHKAOUMVRGSKLS-UWVGGRQHBE