DDTEDLANKFIGLM-NH2

CAS No.
CCD No.
CCD04011778
Formula
C68 H109 N17 O24 S
MolWeight
1580.77

Basic Information

Product Name: DDTEDLANKFIGLM-NH2
English Synonyms: DDTEDLANKFIGLM-NH2 ; TACHYKININ OG1
MDL Number.: MFCD18252134
H bond acceptor: 41
H bond donor: 22
Smile: CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChi: InChI=1S/C68H109N17O24S/c1-10-34(6)54(67(108)73-31-49(88)75-42(24-32(2)3)62(103)76-39(56(72)97)21-23-110-9)84-65(106)44(26-37-16-12-11-13-17-37)82-59(100)40(18-14-15-22-69)77-63(104)45(28-48(71)87)79-57(98)35(7)74-61(102)43(25-33(4)5)81-64(105)46(29-52(93)94)83-60(101)41(19-20-50(89)90)78-68(109)55(36(8)86)85-66(107)47(30-53(95)96)80-58(99)38(70)27-51(91)92/h11-13,16-17,32-36,38-47,54-55,86H,10,14-15,18-31,69-70H2,1-9H3,(H2,71,87)(H2,72,97)(H,73,108)(H,74,102)(H,75,88)(H,76,103)(H,77,104)(H,78,109)(H,79,98)(H,80,99)(H,81,105)(H,82,100)(H,83,101)(H,84,106)(H,85,107)(H,89,90)(H,91,92)(H,93,94)(H,95,96)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,54-,55-/m0/s1
InChiKey: InChIKey=ZGSSGXSPTCMRGW-GMVAYATQSA-N

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