9H-fluoren-9-ylmethyl N-[(1R,7S,11S,14R,20S,24S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-2,12,15,25-tetramethyl-11,24-bis(methylsulfanylmethyl)-3,6,10,13,16,19,23,26-octakis(oxidanylidene)-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(1R,7S,11S,14R,20S,24S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-2,12,15,25-tetramethyl-11,24-bis(methylsulfanylmethyl)-3,6,10,13,16,19,23,26-octakis(oxidanylidene)-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1R,7S,11S,14R,20S,24S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-2,12,15,25-tetramethyl-11,24-bis(methylsulfanylmethyl)-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]carbamate CAS Name: N-[(1R,7S,11S,14R,20S,24S)-7-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2,12,15,25-tetramethyl-11,24-bis[(methylthio)methyl]-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(1R,7S,11S,14R,20S,24S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-2,12,15,25-tetramethyl-11,24-bis(methylsulfanylmethyl)-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]carbamate Traditional Name: N-[(1R,7S,11S,14R,20S,24S)-7-(9H-fluoren-9-ylmethoxycarbonylamino)-3,6,10,13,16,19,23,26-octaketo-2,12,15,25-tetramethyl-11,24-bis[(methylthio)methyl]-9,22,28,29-tetrathia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-20-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C58H66N8O12S6 MolecularWeight: 1259.58104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CSSCC(C(=O)N(C(C(=O)SCC(C(=O)NCC1=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CSC)C)N(C(=O)CNC(=O)C(CSC(=O)C(N(C2=O)C)CSC)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)C

Isomeric SMILES

CN1[C@H]2CSSC[C@@H](C(=O)N([C@H](C(=O)SC[C@H](C(=O)NCC1=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CSC)C)N(C(=O)CNC(=O)[C@@H](CSC(=O)[C@@H](N(C2=O)C)CSC)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)C

InChI

InChI=1S/C58H66N8O12S6/c1-63-45-31-83-84-32-46(54(72)66(4)48(30-80-6)56(74)82-27-43(51(69)59-23-49(63)67)61-57(75)77-25-41-37-19-11-7-15-33(37)34-16-8-12-20-38(34)41)64(2)50(68)24-60-52(70)44(28-81-55(73)47(29-79-5)65(3)53(45)71)62-58(76)78-26-42-39-21-13-9-17-35(39)36-18-10-14-22-40(36)42/h7-22,41-48H,23-32H2,1-6H3,(H,59,69)(H,60,70)(H,61,75)(H,62,76)/t43-,44-,45+,46+,47+,48+/m1/s1