9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxidanylidene-propyl]carbamoyl]-2,5,9,13-tetrakis(oxidanylidene)-3-(phenylmethyl)-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxidanylidene-propyl]carbamoyl]-2,5,9,13-tetrakis(oxidanylidene)-3-(phenylmethyl)-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-2-[[(3S)-3-benzyl-10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxo-propyl]carbamoyl]-2,5,9,13-tetraoxo-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(3S)-10-[[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxopropyl]amino]-oxomethyl]-2,5,9,13-tetraoxo-3-(phenylmethyl)-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-1-oxopropan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-[[(3S)-3-benzyl-10-[[3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]-3-oxopropyl]carbamoyl]-2,5,9,13-tetraoxo-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(3S)-3-benzyl-2,5,9,13-tetraketo-10-[[3-keto-3-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]propylamino]propyl]carbamoyl]-1,4,8,12-tetrazacyclopentadec-10-yl]methylamino]-2-keto-1-methyl-ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C54H65N9O10 MolecularWeight: 1000.1482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1(CNC(=O)CCNC(=O)C(NC(=O)CCNC1=O)CC2=CC=CC=C2)C(=O)NCCC(=O)NCCCOC3=CC=CC4=C3CCN(C4)C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

C[C@@H](C(=O)NCC1(CNC(=O)CCNC(=O)[C@@H](NC(=O)CCNC1=O)CC2=CC=CC=C2)C(=O)NCCC(=O)NCCCOC3=CC=CC4=C3CCN(C4)C)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C54H65N9O10/c1-35(61-53(71)73-32-43-41-17-8-6-15-39(41)40-16-7-9-18-42(40)43)49(67)60-34-54(51(69)57-26-21-46(64)55-24-11-29-72-45-19-10-14-37-31-63(2)28-23-38(37)45)33-59-47(65)20-25-56-50(68)44(30-36-12-4-3-5-13-36)62-48(66)22-27-58-52(54)70/h3-10,12-19,35,43-44H,11,20-34H2,1-2H3,(H,55,64)(H,56,68)(H,57,69)(H,58,70)(H,59,65)(H,60,67)(H,61,71)(H,62,66)/t35-,44-,54?/m0/s1