(2S)-N-[(2S)-1-azanyl-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[3-(2-phenylbenzimidazol-1-yl)oxypropanoylamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]butanediamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[3-(2-phenylbenzimidazol-1-yl)oxypropanoylamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]butanediamide Openeye Name: (2S)-N-[(1S)-2-amino-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-2-[[(2S)-2-[[(2S)-5-guanidino-2-[3-(2-phenylbenzimidazol-1-yl)oxypropanoylamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]butanediamide CAS Name: (2S)-N-[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-[[1-oxo-3-[(2-phenyl-1-benzimidazolyl)oxy]propyl]amino]pentyl]amino]-4-methyl-1-oxopentyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[3-(2-phenylbenzimidazol-1-yl)oxypropanoylamino]pentanoyl]amino]-4-methylpentanoyl]amino]butanediamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(4-fluorobenzyl)-2-keto-ethyl]-2-[[(2S)-2-[[(2S)-5-guanidino-2-[3-(2-phenylbenzimidazol-1-yl)oxypropanoylamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]succinamide Formula: C41H52FN11O7 MolecularWeight: 829.919483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)F)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCON2C3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)F)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCON2C3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C41H52FN11O7/c1-24(2)21-31(39(58)52-32(23-34(43)54)40(59)50-30(36(44)56)22-25-14-16-27(42)17-15-25)51-38(57)29(12-8-19-47-41(45)46)48-35(55)18-20-60-53-33-13-7-6-11-28(33)49-37(53)26-9-4-3-5-10-26/h3-7,9-11,13-17,24,29-32H,8,12,18-23H2,1-2H3,(H2,43,54)(H2,44,56)(H,48,55)(H,50,59)(H,51,57)(H,52,58)(H4,45,46,47)/t29-,30-,31-,32-/m0/s1