50410-01-0
H-HIS-PRO-PHE-HIS-LEU-D-LEU-VAL-TYR-OH
NameH-HIS-PRO-PHE-HIS-LEU-D-LEU-VAL-TYR-OH
1Identification
【Name】
H-HIS-PRO-PHE-HIS-LEU-D-LEU-VAL-TYR-OH
【CAS】
【MDL】
MFCD00133401
【English Synonyms】
【Formula】
C52 H72 N12 O10
【MolWeight】
1025.21
【Inchi】
InChI=1S/C52H72N12O10/c1-29(2)19-38(45(66)59-39(20-30(3)4)48(69)63-44(31(5)6)50(71)62-42(52(73)74)22-33-14-16-36(65)17-15-33)58-47(68)41(24-35-26-55-28-57-35)60-46(67)40(21-32-11-8-7-9-12-32)61-49(70)43-13-10-18-64(43)51(72)37(53)23-34-25-54-27-56-34/h7-9,11-12,14-17,25-31,37-44,65H,10,13,18-24,53H2,1-6H3,(H,54,56)(H,55,57)(H,58,68)(H,59,66)(H,60,67)(H,61,70)(H,62,71)(H,63,69)(H,73,74)/t37-,38-,39+,40-,41-,42-,43-,44-/m0/s1
【InChIKey】
InChIKey=FDIFVHOZUBKVOS-BWNBKZIHSA-N
【SMILES】
CC(C)C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5c[nH]cn5)N
【MOL File】
H-HIS-PRO-PHE-HIS-LE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:11
H bond acceptor:22
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
H-HIS-PRO-PHE-HIS-LEU-D-LEU-VAL-TYR-OH.cml