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N-[(Phenylmethoxy)Carbonyl]-beta-Alanyl-L-Valine
[CAS# 61058-48-8]

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Identification
Name N-[(Phenylmethoxy)Carbonyl]-beta-Alanyl-L-Valine
Synonyms 3-Methyl-2-[[1-Oxo-3-[[Oxo-(Phenylmethoxy)Methyl]Amino]Propyl]Amino]Butanoic Acid; 2-[3-(Benzyloxycarbonylamino)Propanoylamino]-3-Methyl-Butyric Acid; C4251_Sigma
Molecular Structure CAS#: 61058-48-8, N-[(Phenylmethoxy)Carbonyl]-beta-Alanyl-L-Valine
Molecular Formula C16H22N2O5
Molecular Weight 322.36
CAS Registry Number 61058-48-8
SMILES C1=C(COC(NCCC(NC(C(C)C)C(O)=O)=O)=O)C=CC=C1
InChI 1S/C16H22N2O5/c1-11(2)14(15(20)21)18-13(19)8-9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)
InChIKey XFMVOOGGOCFBNM-UHFFFAOYSA-N
Properties
Density 1.203g/cm3 (Cal.)
Boiling point 590.896°C at 760 mmHg (Cal.)
Flash point 311.163°C (Cal.)
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