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823233-07-4

823233-07-4 | L-Tryptophan, L-isoleucyl-L-valyl-L-threonyl-L-asparaginyl-

CAS No: 823233-07-4 Catalog No: AG004YRO MDL No:

Product Description

Catalog Number:
AG004YRO
Chemical Name:
L-Tryptophan, L-isoleucyl-L-valyl-L-threonyl-L-asparaginyl-
CAS Number:
823233-07-4
Molecular Formula:
C30H45N7O8
Molecular Weight:
631.7204
IUPAC Name:
(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C30H45N7O8/c1-6-15(4)23(32)27(41)36-24(14(2)3)28(42)37-25(16(5)38)29(43)34-20(12-22(31)39)26(40)35-21(30(44)45)11-17-13-33-19-10-8-7-9-18(17)19/h7-10,13-16,20-21,23-25,33,38H,6,11-12,32H2,1-5H3,(H2,31,39)(H,34,43)(H,35,40)(H,36,41)(H,37,42)(H,44,45)/t15-,16+,20-,21-,23-,24-,25-/m0/s1
InChI Key:
NTRCTAKWCZUNBG-IYHIGGSWSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CC(=O)N)[C@H](O)C)C(C)C)N)C

Properties

Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
631.333g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
631.731g/mol
Monoisotopic Mass:
631.333g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
259A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8  

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