ditert-butyl 2-[4-[(2S)-3-[[1-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]cyclohexyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanylidene-propyl]phenoxy]propanedioate

Systemtic Name: ditert-butyl 2-[4-[(2S)-3-[[1-[[(2S)-4-azanyl-1-(3-naphthalen-1-ylpropylamino)-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]cyclohexyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxidanylidene-propyl]phenoxy]propanedioate Openeye Name: ditert-butyl 2-[4-[(2S)-3-[[1-[[(1S)-3-amino-1-[3-(1-naphthyl)propylcarbamoyl]-3-oxo-propyl]carbamoyl]cyclohexyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-propyl]phenoxy]propanedioate CAS Name: 2-[4-[(2S)-3-[[1-[[[(2S)-4-amino-1-[3-(1-naphthalenyl)propylamino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]cyclohexyl]amino]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-oxopropyl]phenoxy]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-[(2S)-3-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxopropyl]phenoxy]propanedioate Traditional Name: 2-[4-[(2S)-3-[[1-[[(1S)-3-amino-3-keto-1-[3-(1-naphthyl)propylcarbamoyl]propyl]carbamoyl]cyclohexyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-keto-propyl]phenoxy]malonic acid ditert-butyl ester Formula: C59H69N5O11 MolecularWeight: 1024.20606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)OC1=CC=C(C=C1)CC(C(=O)NC2(CCCCC2)C(=O)NC(CC(=O)N)C(=O)NCCCC3=CC=CC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)OC1=CC=C(C=C1)C[C@@H](C(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC3=CC=CC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C59H69N5O11/c1-57(2,3)74-53(68)50(54(69)75-58(4,5)6)73-40-29-27-37(28-30-40)34-47(63-56(71)72-36-46-44-25-12-10-23-42(44)43-24-11-13-26-45(43)46)52(67)64-59(31-14-7-15-32-59)55(70)62-48(35-49(60)65)51(66)61-33-17-21-39-20-16-19-38-18-8-9-22-41(38)39/h8-13,16,18-20,22-30,46-48,50H,7,14-15,17,21,31-36H2,1-6H3,(H2,60,65)(H,61,66)(H,62,70)(H,63,71)(H,64,67)/t47-,48-/m0/s1