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920011-56-9

920011-56-9 | L-Arginine, L-tryptophyl-L-leucyl-L-seryl-L-prolyl-L-arginyl-L-arginyl-

CAS No: 920011-56-9 Catalog No: AG006G60 MDL No:

Product Description

Catalog Number:
AG006G60
Chemical Name:
L-Arginine, L-tryptophyl-L-leucyl-L-seryl-L-prolyl-L-arginyl-L-arginyl-
CAS Number:
920011-56-9
Molecular Formula:
C43H71N17O9
Molecular Weight:
970.1323
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C43H71N17O9/c1-23(2)19-31(58-34(62)26(44)20-24-21-54-27-10-4-3-9-25(24)27)37(65)59-32(22-61)39(67)60-18-8-14-33(60)38(66)56-29(12-6-16-52-42(47)48)35(63)55-28(11-5-15-51-41(45)46)36(64)57-30(40(68)69)13-7-17-53-43(49)50/h3-4,9-10,21,23,26,28-33,54,61H,5-8,11-20,22,44H2,1-2H3,(H,55,63)(H,56,66)(H,57,64)(H,58,62)(H,59,65)(H,68,69)(H4,45,46,51)(H4,47,48,52)(H4,49,50,53)/t26-,28-,29-,30-,31-,32-,33-/m0/s1
InChI Key:
BPFJPOJZHPOASR-VJBGVNKVSA-N
SMILES:
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(C)C

Properties

Complexity:
1820  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
969.562g/mol
Formal Charge:
0
Heavy Atom Count:
69  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
970.151g/mol
Monoisotopic Mass:
969.562g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
458A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6  

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