AG0035BS

154212-61-0 | N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine

AG0035BS

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CAS Number	154212-61-0
Catalog Number	AG0035BS(AGN-PC-0Q6PJS)
Chemical Name	N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine
IUPAC Name	(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic acid
InChI	InChI=1S/C14H23N3O3S/c1-8(2)11(13(18)19)16-14(20)17(5)6-10-7-21-12(15-10)9(3)4/h7-9,11H,6H2,1-5H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChI Key	OSQWRZICKAOBFA-NSHDSACASA-N
MDL Number	MFCD07369527
Molecular Formula	C14H23N3O3S
Molecular Weight	313.4157
SMILES	C(C)(C)C=1SC=C(N1)CN(C(=O)N[C@@H](C(C)C)C(=O)O)C
UNII	10433TZP2U
Synonyms	154212-61-0, N-[2-Isopropylthiazol-4-ylmethyl(methyl)carbamoyl]-L-valine, Ureidovaline, (S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid, UNII-10433TZP2U, 10433TZP2U, (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoic Acid, AK-41437, J-502162, L-Valine, N-((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)-, N-((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine, (2S)-3-Methyl-2-((methyl((2-(1-methylethyl)thiazol-4-yl)methyl)carbamoyl)amino)butanoic acid, (2s)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanoic acid, Ritonavir impurity A [EP], mtv-iii, N-[[N-Methyl-N-[(2-isopropyl-4-thiazolyl)methyl]amino]carbonyl]-L-valine, L-Valine, N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-, (2S)-3-Methyl-2-[[methyl[[2-(1-methylethyl)thiazol-4-yl]methyl]carbamoyl]amino]butanoic Acid, PubChem13655, Ritonavir impurity, ureidovaline- [USP], SCHEMBL1389204, CTK4C8158, DTXSID30165570, N-[[N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amino]carbonyl-L-valine Carboxylic Acid, OSQWRZICKAOBFA-NSHDSACASA-N, BCP11230, ANW-46098, MFCD07369527, ZINC22008472, AKOS015896181, AC-4344, ACN-030522, DS-1850, N-((N-methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)-L-valine (MTV-III), ACM154212610, AJ-80372, AN-12088, S031, AB0018448, AX8018559, TC-134843, FT-0655838, ST24031441, M-8640, 212I610, I06-1589, n-[n-[(2-isopropyl-4-thiazole)methyl]-n-methyl]car, (((2-isopropylthiazol-4-yl)methyl)(methyl)carbamoyl)-L-valine, N-[N-(2-Isopropyl-4-thiazolylmethyl)-N-methylcarbamoyl]-L-valine, N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)-carbonyl)-L-valine, N-[[[(2-Isopropyl-4-thiazolyl)methyl](methyl)amino]carbonyl]-L-valine, (2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoic acid, (R)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid, (S)-2-(3-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)-3-METHYLUREIDO)-3-METHYL BUTANOIC ACID, (s)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid,98%, (S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoicacid, L-Valine,N-[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]-, C14H23N3O3S, CID9818282, CS-O-10636, n-(2-isopropylthiazol-4-ylmethyl(methyl)carbamoyl)-l-valine, (S)-2-(3-((2-Isopropylthiazol-4-yl)methyl)-3-methylureido)-3-met hylbutanoic acid,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	313.146g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	313.416g/mol
Monoisotopic Mass	313.146g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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