PHE-ALA-ALA-PHE(4-NO2)-PHE-VAL-LEU (4-PYRIDYLMETHYL) ESTER

CAS No.
115389-04-3
CCD No.
CCD00064513
Formula
C50 H63 N9 O10
MolWeight
950.101

Basic Information

Product Name: PHE-ALA-ALA-PHE(4-NO2)-PHE-VAL-LEU (4-PYRIDYLMETHYL) ESTER
CAS: 115389-04-3
English Synonyms: PHE-ALA-ALA-PHE(4-NO2)-PHE-VAL-LEU (4-PYRIDYLMETHYL) ESTER ; PHE-ALA-ALA-P-NITRO-PHE-PHE-VAL-LEU 4-PYRIDYLMETHYL ESTER
MDL Number.: MFCD00133756
H bond acceptor: 19
H bond donor: 7
Smile: CC(C)C[C@@H](C(=O)OCc1ccncc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(cc3)[N+](=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)N
InChi: InChI=1S/C50H63N9O10/c1-30(2)25-42(50(66)69-29-37-21-23-52-24-22-37)57-49(65)43(31(3)4)58-48(64)41(27-35-15-11-8-12-16-35)56-47(63)40(28-36-17-19-38(20-18-36)59(67)68)55-45(61)33(6)53-44(60)32(5)54-46(62)39(51)26-34-13-9-7-10-14-34/h7-24,30-33,39-43H,25-29,51H2,1-6H3,(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,65)(H,58,64)/t32-,33-,39-,40-,41-,42-,43-/m0/s1
InChiKey: InChIKey=GHSCHCKVTVGANO-RQHOAPLWSA-N

Property

Safety information

WGK Germany: 3

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