2-azanyl-5-(2-azanylethanoylamino)-3-(9H-fluoren-1-ylmethoxycarbonyl)-4-oxidanylidene-3-sulfanyl-2-(triphenylmethyl)pentanoic acid

Systemtic Name: 2-azanyl-5-(2-azanylethanoylamino)-3-(9H-fluoren-1-ylmethoxycarbonyl)-4-oxidanylidene-3-sulfanyl-2-(triphenylmethyl)pentanoic acid Openeye Name: 2-amino-5-[(2-aminoacetyl)amino]-3-(9H-fluoren-1-ylmethoxycarbonyl)-4-oxo-3-sulfanyl-2-trityl-pentanoic acid CAS Name: 2-amino-5-[(2-amino-1-oxoethyl)amino]-3-[9H-fluoren-1-ylmethoxy(oxo)methyl]-3-mercapto-4-oxo-2-(triphenylmethyl)pentanoic acid IUPAC Name: 2-amino-5-[(2-aminoacetyl)amino]-3-(9H-fluoren-1-ylmethoxycarbonyl)-4-oxo-3-sulfanyl-2-tritylpentanoic acid Traditional Name: 2-amino-3-(9H-fluoren-1-ylmethoxycarbonyl)-5-(glycylamino)-4-keto-3-mercapto-2-trityl-valeric acid Formula: C41H37N3O6S MolecularWeight: 699.81398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1C(=CC=C3)COC(=O)C(C(=O)CNC(=O)CN)(C(C(=O)O)(C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N)S

Isomeric SMILES

C1C2=CC=CC=C2C3=C1C(=CC=C3)COC(=O)C(C(=O)CNC(=O)CN)(C(C(=O)O)(C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N)S

InChI

InChI=1S/C41H37N3O6S/c42-24-36(46)44-25-35(45)40(51,38(49)50-26-28-14-12-22-33-32-21-11-10-13-27(32)23-34(28)33)41(43,37(47)48)39(29-15-4-1-5-16-29,30-17-6-2-7-18-30)31-19-8-3-9-20-31/h1-22,51H,23-26,42-43H2,(H,44,46)(H,47,48)