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113502-65-1

113502-65-1 | L-Tryptophanamide, L-phenylalanyl-L-methionyl-L-arginyl- (9CI)

CAS No: 113502-65-1 Catalog No: AG0008SU MDL No:

Product Description

Catalog Number:
AG0008SU
Chemical Name:
L-Tryptophanamide, L-phenylalanyl-L-methionyl-L-arginyl- (9CI)
CAS Number:
113502-65-1
Molecular Formula:
C31H43N9O4S
Molecular Weight:
637.7960
IUPAC Name:
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
InChI:
InChI=1S/C31H43N9O4S/c1-45-15-13-25(38-28(42)22(32)16-19-8-3-2-4-9-19)30(44)39-24(12-7-14-36-31(34)35)29(43)40-26(27(33)41)17-20-18-37-23-11-6-5-10-21(20)23/h2-6,8-11,18,22,24-26,37H,7,12-17,32H2,1H3,(H2,33,41)(H,38,42)(H,39,44)(H,40,43)(H4,34,35,36)
InChI Key:
PYMNEPRRBXOICF-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)N

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
637.316g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
637.804g/mol
Monoisotopic Mass:
637.316g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
262A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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