AG000W2H

13139-28-1 | Carbamic acid, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-, phenylmethyl ester

AG000W2H

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CAS Number	13139-28-1
Catalog Number	AG000W2H(AGN-PC-0PJHS5)
Chemical Name	Carbamic acid, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-, phenylmethyl ester
IUPAC Name	benzyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
InChI	InChI=1S/C13H18N2O3/c1-9(2)11(12(14)16)15-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H2,14,16)(H,15,17)/t11-/m0/s1
InChI Key	LWAHIZLDUQONHV-NSHDSACASA-N
MDL Number	MFCD00191170
Molecular Formula	C13H18N2O3
Molecular Weight	250.2936
SMILES	O=C(OCC1=CC=CC=C1)N[C@@H](C(C)C)C(N)=O
Synonyms	13139-28-1, Z-Val-NH2, Z-L-valine amide, (S)-Benzyl (1-amino-3-methyl-1-oxobutan-2-yl)carbamate, MFCD00191170, N-Cbz-L-valinamide, SCHEMBL7305552, CTK8B2961, DTXSID90441807, ZINC2556717, ANW-41476, AKOS016008560, AJ-39957, NS-00012, TC-130221, ST24036256, Z9569, B-7091, J-300301, benzyl N-[(1S)-1-carbamoyl-2-methylpropyl]carbamate, (S)-benzyl 1-amino-3-methyl-1-oxobutan-2-ylcarbamate, benzyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate, Carbamic acid, N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-, phenylmethyl ester, C13H18N2O3, CID10562630, Benzyl N-[(1S)-1-carbamoyl-2-methyl-propyl]carbamate,

Complexity	286
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	250.132g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	250.298g/mol
Monoisotopic Mass	250.132g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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