D-GLUTAMIC ACID, N-[[[4-[2-PROPYN-1-YL[(6S)-4,6,7,8-TETRAHYDRO-2-(HYDROXYMETHYL)-4-OXO-3H-CYCLOPENTA[G]QUINAZOLIN-6-YL]AMINO]BENZOYL]-L-GAMMA-GLUTAMYL-YL]AMINO]BENZOYL-L-GAMMA-GLUTAMYL-

501332-69-0

MFCD18251531

C44 H45 N7 O14

895.875

InChI=1S/C44H45N7O14/c1-2-19-51(34-15-7-25-20-29-33(21-28(25)34)46-35(22-52)50-41(29)59)27-10-5-24(6-11-27)40(58)49-31(43(62)63)12-16-36(53)45-26-8-3-23(4-9-26)39(57)48-32(44(64)65)13-17-37(54)47-30(42(60)61)14-18-38(55)56/h1,3-6,8-11,20-21,30-32,34,52H,7,12-19,22H2,(H,45,53)(H,47,54)(H,48,57)(H,49,58)(H,55,56)(H,60,61)(H,62,63)(H,64,65)(H,46,50,59)/t30-,31+,32+,34?/m1/s1

InChIKey=PFXNHHMZGUIPJA-DSXCVKRXSA-N

C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)Nc2ccc(cc2)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C3CCc4c3cc5c(c4)c(=O)[nH]c(n5)CO

pro_donors:10

pro_acceptors:21

XLogP3:0.0

Bulk/Fine:F