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89032-47-3 | Glycine, N-[N-[N-[(phenylmethoxy)carbonyl]-L-histidyl]-L-tryptophyl]-
CAS No: 89032-47-3 Catalog No: AG0042BU MDL No:
Product Description
Catalog Number:
AG0042BU
Chemical Name:
Glycine, N-[N-[N-[(phenylmethoxy)carbonyl]-L-histidyl]-L-tryptophyl]-
CAS Number:
89032-47-3
Molecular Formula:
C27H28N6O6
Molecular Weight:
532.5478
IUPAC Name:
2-[[2-[[3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C27H28N6O6/c34-24(35)14-30-25(36)22(10-18-12-29-21-9-5-4-8-20(18)21)32-26(37)23(11-19-13-28-16-31-19)33-27(38)39-15-17-6-2-1-3-7-17/h1-9,12-13,16,22-23,29H,10-11,14-15H2,(H,28,31)(H,30,36)(H,32,37)(H,33,38)(H,34,35)
InChI Key:
LYWZXRXMFMYZQD-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)OCc1ccccc1
Properties
Complexity:
853
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.207g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
532.557g/mol
Monoisotopic Mass:
532.207g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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