S36077   Click here for help

GtoPdb Ligand ID: 1295

Synonyms: S 36077 | S-36077
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO)CCCN=C(N)N)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N)CC(C)C)NC(=O)C(NC(=O)C(CCCN=C(N)N)N)CO
Isomeric SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C
InChI InChI=1S/C67H106N22O16S/c1-35(2)28-46(83-56(96)44(22-27-106-5)81-59(99)49(33-90)86-54(94)41(68)13-8-23-75-65(69)70)55(95)79-32-52(93)80-43(15-9-24-76-66(71)72)57(97)88-53(36(3)4)62(102)84-47(29-37-18-20-39(92)21-19-37)58(98)82-45(16-10-25-77-67(73)74)63(103)89-26-11-17-51(89)61(101)87-50(34-91)60(100)85-48(64(104)105)30-38-31-78-42-14-7-6-12-40(38)42/h6-7,12,14,18-21,31,35-36,41,43-51,53,78,90-92H,8-11,13,15-17,22-30,32-34,68H2,1-5H3,(H,79,95)(H,80,93)(H,81,99)(H,82,98)(H,83,96)(H,84,102)(H,85,100)(H,86,94)(H,87,101)(H,88,97)(H,104,105)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-/m0/s1
InChI Key GFASBNQMQCNUCJ-AGPCLTJXSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
S 36077 | S-36077
Database Links Click here for help
CAS Registry No. 350850-47-4
GtoPdb PubChem SID 135652442
Search Google for chemical match using the InChIKey GFASBNQMQCNUCJ-AGPCLTJXSA-N
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Search UniChem for chemical match using the InChIKey GFASBNQMQCNUCJ-AGPCLTJXSA-N
Search UniChem for chemicals with the same backbone GFASBNQMQCNUCJ