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141593-75-1 | D-Leucine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl]-D-tryptophyl]- (9CI)
CAS No: 141593-75-1 Catalog No: AG001GNM MDL No:
Product Description
Catalog Number:
AG001GNM
Chemical Name:
D-Leucine, N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl]-D-tryptophyl]- (9CI)
CAS Number:
141593-75-1
Molecular Formula:
C28H42N4O6
Molecular Weight:
530.6563
IUPAC Name:
(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C28H42N4O6/c1-16(2)12-21(32-27(37)38-28(5,6)7)24(33)30-22(25(34)31-23(26(35)36)13-17(3)4)14-18-15-29-20-11-9-8-10-19(18)20/h8-11,15-17,21-23,29H,12-14H2,1-7H3,(H,30,33)(H,31,34)(H,32,37)(H,35,36)/t21-,22+,23+/m0/s1
InChI Key:
ZDRJSCKRONKKLR-YTFSRNRJSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)OC(C)(C)C)C
Properties
Complexity:
825
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
530.31g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
530.666g/mol
Monoisotopic Mass:
530.31g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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