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RB 38A ,RB 38 A ,3-(N-Hydroxycarboxamido-2-benzylpropanoyl)phenylalani

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摘 要:RB 38A ,RB 38 A ,3-(N-Hydroxycarboxamido-2-benzylpropanoyl)phenylalanine ,L-Phenylalanine, N-(4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl)-, (R)-,105831-46-7, (2S)-2-[[(2R)-4-(hydroxyamino)-4-oxo-2-(phenylmethyl)butanoyl]amino]-3-,phenylpropanoi
[Synonyms]
RB 38A
RB 38 A
3-(N-Hydroxycarboxamido-2-benzylpropanoyl)phenylalanine
L-Phenylalanine, N-(4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl)-, (R)-
105831-46-7

[Structure]
RB 38A ,RB 38 A ,3-(N-Hydroxycarboxamido-2-benzylpropanoyl)phenylalani

[ Properties Computed from Structure]
Molecular Weight370.39908 [g/mol]
Molecular FormulaC20H22N2O5
XLogP-0.6
H-Bond Donor4
H-Bond Acceptor5
Rotatable Bond Count9
Tautomer Count6
Exact Mass370.152872
MonoIsotopic Mass370.152872
Topological Polar Surface Area116
Heavy Atom Count27
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-2-[[(2R)-4-(hydroxyamino)-4-oxo-2-(phenylmethyl)butanoyl]amino]-3-
phenylpropanoic acid
Canonical SMILES: C1=CC=C(C=C1)CC(CC(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)O
Isomeric SMILES: C1=CC=C(C=C1)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI: InChI=1/C20H22N2O5/c23-18(22-27)13-16(11-14-7-3-1-4-8-14)19(24)21-17(20
(25)26)12-15-9-5-2-6-10-15/h1-10,16-17,27H,11-13H2,(H,21,24)(H,22,23)(H,
25,26)/t16-,17+/m1/s1/f/h21-22,25H

 
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