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7801-38-9 | Glycine, N-[N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-leucyl]-
CAS No: 7801-38-9 Catalog No: AG005DPE MDL No:
Product Description
Catalog Number:
AG005DPE
Chemical Name:
Glycine, N-[N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-leucyl]-
CAS Number:
7801-38-9
Molecular Formula:
C21H29N3O6
Molecular Weight:
419.4715
IUPAC Name:
2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetic acid
InChI:
InChI=1S/C21H29N3O6/c1-14(2)11-16(19(27)22-12-18(25)26)23-20(28)17-9-6-10-24(17)21(29)30-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3,(H,22,27)(H,23,28)(H,25,26)/t16-,17-/m0/s1
InChI Key:
WOTUJALMKRAEDD-IRXDYDNUSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
419.206g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
419.478g/mol
Monoisotopic Mass:
419.206g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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