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127808-81-5 | L-Leucine, N-[N-[N-[N-(N,N-di-2-propenyl-L-tyrosyl)-D-leucyl]glycyl]-L-tyrosyl]- (9CI)
CAS No: 127808-81-5 Catalog No: AG000XFV MDL No:
Product Description
Catalog Number:
AG000XFV
Chemical Name:
L-Leucine, N-[N-[N-[N-(N,N-di-2-propenyl-L-tyrosyl)-D-leucyl]glycyl]-L-tyrosyl]- (9CI)
CAS Number:
127808-81-5
Molecular Formula:
C38H53N5O8
Molecular Weight:
707.8561
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C38H53N5O8/c1-7-17-43(18-8-2)33(22-27-11-15-29(45)16-12-27)37(49)41-30(19-24(3)4)35(47)39-23-34(46)40-31(21-26-9-13-28(44)14-10-26)36(48)42-32(38(50)51)20-25(5)6/h7-16,24-25,30-33,44-45H,1-2,17-23H2,3-6H3,(H,39,47)(H,40,46)(H,41,49)(H,42,48)(H,50,51)/t30-,31+,32+,33+/m1/s1
InChI Key:
WPYLFYWRECLMCS-GJBCSVNNSA-N
SMILES:
C=CCN([C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)CC=C
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
707.389g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
707.869g/mol
Monoisotopic Mass:
707.389g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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