(2S)-1-[(2S)-2-azanyl-3-(4-fluorophenyl)propanoyl]-N-[(2S)-1-[[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2,5-dihydropyrrole-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(4-fluorophenyl)propanoyl]-N-[(2S)-1-[[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2,5-dihydropyrrole-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[(1S)-1-[[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]-2,5-dihydropyrrole-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(4-fluorophenyl)-1-oxopropyl]-N-[(2S)-1-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,5-dihydropyrrole-2-carboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[(2S)-1-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,5-dihydropyrrole-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[(1S)-1-[[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]-3-pyrroline-2-carboxamide Formula: C34H43FN10O5 MolecularWeight: 690.767623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C3C=CCN3C(=O)C(CC4=CC=C(C=C4)F)N

Isomeric SMILES

CN([C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3C=CCN3C(=O)[C@H](CC4=CC=C(C=C4)F)N

InChI

InChI=1S/C34H43FN10O5/c1-44(28(30(37)47)17-21-18-41-25-7-3-2-6-23(21)25)29(46)19-42-31(48)26(8-4-14-40-34(38)39)43-32(49)27-9-5-15-45(27)33(50)24(36)16-20-10-12-22(35)13-11-20/h2-3,5-7,9-13,18,24,26-28,41H,4,8,14-17,19,36H2,1H3,(H2,37,47)(H,42,48)(H,43,49)(H4,38,39,40)/t24-,26-,27-,28-/m0/s1