Home Carbonyls D-Norleucine, 1-(methoxycarbonyl)-D-tryptophyl-, (4-nitrophenyl)methyl ester, monohydrochloride (9CI)

D-Norleucine, 1-(methoxycarbonyl)-D-tryptophyl-, (4-nitrophenyl)methyl ester, monohydrochloride (9CI)

CAS No.:
865488-40-0
Catalog Number:
AG00GU8C
Molecular Formula:
C26H31ClN4O7
Molecular Weight:
546.9999
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Product Description
Catalog Number:
AG00GU8C
Chemical Name:
D-Norleucine, 1-(methoxycarbonyl)-D-tryptophyl-, (4-nitrophenyl)methyl ester, monohydrochloride (9CI)
CAS Number:
865488-40-0
Molecular Formula:
C26H31ClN4O7
Molecular Weight:
546.9999
MDL Number:
MFCD28411448
IUPAC Name:
methyl 3-[(2R)-2-amino-3-[[(2R)-1-[(4-nitrophenyl)methoxy]-1-oxohexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate;hydrochloride
InChI:
InChI=1S/C26H30N4O7.ClH/c1-3-4-8-22(25(32)37-16-17-10-12-19(13-11-17)30(34)35)28-24(31)21(27)14-18-15-29(26(33)36-2)23-9-6-5-7-20(18)23;/h5-7,9-13,15,21-22H,3-4,8,14,16,27H2,1-2H3,(H,28,31);1H/t21-,22-;/m1./s1
InChI Key:
GBSRABPVQULOFQ-HLUKFBSCSA-N
SMILES:
CCCC[C@H](C(=O)OCc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H](Cc1cn(c2c1cccc2)C(=O)OC)N.Cl
Properties
Complexity:
796  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
546.188g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
547.005g/mol
Monoisotopic Mass:
546.188g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties