9H-fluoren-9-ylmethyl N-[(3S,5Z,8S,11S,14R,17R)-8-aminocarbonyl-11-[3-[bis(azanyl)methylideneamino]propyl]-14-(3-methylbut-2-enyl)-2,10,13,16-tetrakis(oxidanylidene)-1,9,12,15-tetrazabicyclo[15.3.0]icos-5-en-3-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(3S,5Z,8S,11S,14R,17R)-8-aminocarbonyl-11-[3-[bis(azanyl)methylideneamino]propyl]-14-(3-methylbut-2-enyl)-2,10,13,16-tetrakis(oxidanylidene)-1,9,12,15-tetrazabicyclo[15.3.0]icos-5-en-3-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(3S,5Z,8S,11S,14R,17R)-8-carbamoyl-11-(3-guanidinopropyl)-14-(3-methylbut-2-enyl)-2,10,13,16-tetraoxo-1,9,12,15-tetrazabicyclo[15.3.0]icos-5-en-3-yl]carbamate CAS Name: N-[(3S,5Z,8S,11S,14R,17R)-8-carbamoyl-11-[3-(diaminomethylideneamino)propyl]-14-(3-methylbut-2-enyl)-2,10,13,16-tetraoxo-1,9,12,15-tetrazabicyclo[15.3.0]eicos-5-en-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(3S,5Z,8S,11S,14R,17R)-8-carbamoyl-11-[3-(diaminomethylideneamino)propyl]-14-(3-methylbut-2-enyl)-2,10,13,16-tetraoxo-1,9,12,15-tetrazabicyclo[15.3.0]icos-5-en-3-yl]carbamate Traditional Name: N-[(3S,5Z,8S,11S,14R,17R)-8-carbamoyl-11-(3-guanidinopropyl)-2,10,13,16-tetraketo-14-(3-methylbut-2-enyl)-1,9,12,15-tetrazabicyclo[15.3.0]eicos-5-en-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C41H53N9O7 MolecularWeight: 783.91562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1C(=O)NC(C(=O)NC(CC=CCC(C(=O)N2CCCC2C(=O)N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)N)CCCN=C(N)N)C

Isomeric SMILES

CC(=CC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C/C=C\C[C@@H](C(=O)N2CCC[C@@H]2C(=O)N1)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)N)CCCN=C(N)N)C

InChI

InChI=1S/C41H53N9O7/c1-24(2)19-20-32-37(53)47-31(17-9-21-45-40(43)44)36(52)46-30(35(42)51)15-7-8-16-33(39(55)50-22-10-18-34(50)38(54)48-32)49-41(56)57-23-29-27-13-5-3-11-25(27)26-12-4-6-14-28(26)29/h3-8,11-14,19,29-34H,9-10,15-18,20-23H2,1-2H3,(H2,42,51)(H,46,52)(H,47,53)(H,48,54)(H,49,56)(H4,43,44,45)/b8-7-/t30-,31-,32+,33-,34+/m0/s1