REV [TYR]-(98-108)

CAS No.
CCD No.
CCD00118472
Formula
C56 H87 N17 O22
MolWeight
1350.4

Basic Information

Product Name: REV [TYR]-(98-108)
English Synonyms: REV [TYR]-(98-108) ; TYR-ASP-PRO-THR-LYS-GLY-SER-ARG-SER-PRO-GLN-ASP
MDL Number.: MFCD00273771
H bond acceptor: 39
H bond donor: 22
Smile: C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O
InChi: InChI=1S/C56H87N17O22/c1-27(76)44(71-51(90)39-10-6-19-72(39)53(92)34(22-42(80)81)68-45(84)30(58)21-28-11-13-29(77)14-12-28)52(91)67-31(7-2-3-17-57)46(85)63-24-41(79)64-36(25-74)49(88)65-32(8-4-18-62-56(60)61)47(86)70-37(26-75)54(93)73-20-5-9-38(73)50(89)66-33(15-16-40(59)78)48(87)69-35(55(94)95)23-43(82)83/h11-14,27,30-39,44,74-77H,2-10,15-26,57-58H2,1H3,(H2,59,78)(H,63,85)(H,64,79)(H,65,88)(H,66,89)(H,67,91)(H,68,84)(H,69,87)(H,70,86)(H,71,90)(H,80,81)(H,82,83)(H,94,95)(H4,60,61,62)/t27-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+/m1/s1
InChiKey: InChIKey=QBGIWLOEJNBHLR-JSQUSXNOSA-N

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