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850833-06-6 | L-Alaninamide, N-acetyl-L-tryptophyl-L-tryptophyl-
CAS No: 850833-06-6 Catalog No: AG004OOI MDL No:
Product Description
Catalog Number:
AG004OOI
Chemical Name:
L-Alaninamide, N-acetyl-L-tryptophyl-L-tryptophyl-
CAS Number:
850833-06-6
Molecular Formula:
C27H30N6O4
Molecular Weight:
502.5649
IUPAC Name:
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
InChI:
InChI=1S/C27H30N6O4/c1-15(25(28)35)31-26(36)24(12-18-14-30-22-10-6-4-8-20(18)22)33-27(37)23(32-16(2)34)11-17-13-29-21-9-5-3-7-19(17)21/h3-10,13-15,23-24,29-30H,11-12H2,1-2H3,(H2,28,35)(H,31,36)(H,32,34)(H,33,37)/t15-,23-,24-/m0/s1
InChI Key:
BGCQMMXCFIJMPR-MRDSIPGCSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
Properties
Complexity:
853
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
502.233g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
502.575g/mol
Monoisotopic Mass:
502.233g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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