BIOT-DSSWRGSLKVPYN-AMIDE_Chemical Cloud Database

BIOT-DSSWRGSLKVPYN-AMIDE

Basic Information
Product Name：	BIOT-DSSWRGSLKVPYN-AMIDE
English Synonyms：	PROSTATE-SPECIFIC MEMBRANE ANTIGEN (316-328) BIOTINYL/AMIDE [HOMO SAPIENS] ; BIOT-DSSWRGSLKVPYN-AMIDE
MDL Number.：	MFCD08274129
H bond acceptor：	44
H bond donor：	26
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
InChi：	InChI=1S/C77H116N22O22S/c1-38(2)27-48(67(112)89-46(15-9-10-24-78)66(111)97-62(39(3)4)75(120)99-26-12-17-56(99)74(119)93-49(28-40-20-22-42(103)23-21-40)68(113)90-47(64(80)109)30-58(79)104)91-71(116)52(34-100)87-60(106)33-85-65(110)45(16-11-25-83-76(81)82)88-69(114)50(29-41-32-84-44-14-6-5-13-43(41)44)92-72(117)53(35-101)95-73(118)54(36-102)94-70(115)51(31-61(107)108)86-59(105)19-8-7-18-57-63-55(37-122-57)96-77(121)98-63/h5-6,13-14,20-23,32,38-39,45-57,62-63,84,100-103H,7-12,15-19,24-31,33-37,78H2,1-4H3,(H2,79,104)(H2,80,109)(H,85,110)(H,86,105)(H,87,106)(H,88,114)(H,89,112)(H,90,113)(H,91,116)(H,92,117)(H,93,119)(H,94,115)(H,95,118)(H,97,111)(H,107,108)(H4,81,82,83)(H2,96,98,121)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-/m0/s1
InChiKey：	InChIKey=VKJATCUWDXXDDE-UZOHEJISSA-N

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