ethyl (2R)-3-sulfanyl-2-[[(2R)-3-sulfanyl-2-[[2,7,8-trimethyl-6-oxidanyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]propanoyl]amino]propanoate

Systemtic Name: ethyl (2R)-3-sulfanyl-2-[[(2R)-3-sulfanyl-2-[[2,7,8-trimethyl-6-oxidanyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]propanoyl]amino]propanoate Openeye Name: ethyl (2R)-2-[[(2R)-2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methylamino]-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(2R)-2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-5-yl]methylamino]-3-mercapto-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(2R)-2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[(2R)-2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-5-yl]methylamino]-3-mercapto-propanoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C37H64N2O5S2 MolecularWeight: 681.04446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(CS)NCC1=C2CCC(OC2=C(C(=C1O)C)C)(C)CCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)[C@H](CS)NCC1=C2CCC(OC2=C(C(=C1O)C)C)(C)CCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C37H64N2O5S2/c1-9-43-36(42)32(23-46)39-35(41)31(22-45)38-21-30-29-18-20-37(8,44-34(29)28(7)27(6)33(30)40)19-12-17-26(5)16-11-15-25(4)14-10-13-24(2)3/h24-26,31-32,38,40,45-46H,9-23H2,1-8H3,(H,39,41)/t25?,26?,31-,32-,37?/m0/s1