BOC-PHE-ALA-ALA-4-NITRO-PHE-PHE-VAL-LEU-PYRIDIN-4-YLMETHYL ESTER

CAS No.
86063-97-0
CCD No.
CCD00064446
Formula
C55 H71 N9 O12
MolWeight
1050.22

Basic Information

Product Name: BOC-PHE-ALA-ALA-4-NITRO-PHE-PHE-VAL-LEU-PYRIDIN-4-YLMETHYL ESTER
CAS: 86063-97-0
English Synonyms: N-BOC-PHE-ALA-ALA-P-NITRO-PHE-PHE-VAL-LEU-4-HYDROXYMETHYLPYRIDINE ESTER ; BOC-PHE-ALA-ALA-4-NITRO-PHE-PHE-VAL-LEU-PYRIDIN-4-YLMETHYL ESTER ; BOC-PHE-ALA-ALA-P-NITRO-PHE-PHE-VAL-LEU-4-(HYDROXYMETHYL)PYRIDINE ESTER
MDL Number.: MFCD00133642
H bond acceptor: 21
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)NC(=O)OC(C)(C)C
InChi: InChI=1S/C55H71N9O12/c1-33(2)28-45(53(71)75-32-40-24-26-56-27-25-40)61-52(70)46(34(3)4)63-51(69)43(29-37-16-12-10-13-17-37)60-50(68)42(31-39-20-22-41(23-21-39)64(73)74)59-48(66)36(6)57-47(65)35(5)58-49(67)44(30-38-18-14-11-15-19-38)62-54(72)76-55(7,8)9/h10-27,33-36,42-46H,28-32H2,1-9H3,(H,57,65)(H,58,67)(H,59,66)(H,60,68)(H,61,70)(H,62,72)(H,63,69)/t35-,36-,42-,43-,44-,45-,46-/m0/s1
InChiKey: InChIKey=DDDZLWFGNQMCLJ-SQAYBDCFSA-N

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