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150039-09-1

150039-09-1 | L-Tryptophan, L-prolyl-L-glutaminyl-L-isoleucyl-L-threonyl-L-leucyl-

CAS No: 150039-09-1 Catalog No: AG001M9X MDL No:

Product Description

Catalog Number:
AG001M9X
Chemical Name:
L-Tryptophan, L-prolyl-L-glutaminyl-L-isoleucyl-L-threonyl-L-leucyl-
CAS Number:
150039-09-1
Molecular Formula:
C37H56N8O9
Molecular Weight:
756.8887
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C37H56N8O9/c1-6-20(4)30(44-33(49)26(13-14-29(38)47)41-32(48)25-12-9-15-39-25)35(51)45-31(21(5)46)36(52)42-27(16-19(2)3)34(50)43-28(37(53)54)17-22-18-40-24-11-8-7-10-23(22)24/h7-8,10-11,18-21,25-28,30-31,39-40,46H,6,9,12-17H2,1-5H3,(H2,38,47)(H,41,48)(H,42,52)(H,43,50)(H,44,49)(H,45,51)(H,53,54)/t20-,21+,25-,26-,27-,28-,30-,31-/m0/s1
InChI Key:
QVHYZCCBZLXVLY-NGIFJXEWSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CC(C)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)CCC(=O)N)C

Properties

Complexity:
1330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
756.417g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
756.902g/mol
Monoisotopic Mass:
756.417g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
274A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  

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