(2R)-2-azanyl-N-[(2R)-1-[(2S,4R)-2-[3-[bis(azanyl)methylideneamino]propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2R)-2-azanyl-N-[(2R)-1-[(2S,4R)-2-[3-[bis(azanyl)methylideneamino]propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2R)-2-amino-N-[(1R)-1-benzyl-2-[(2S,4R)-2-(3-guanidinopropyl)-4-(2-naphthylmethoxy)pyrrolidin-1-yl]-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetic acid CAS Name: (2R)-2-amino-N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2R)-2-amino-N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(4-hydroxyphenyl)propanamide; 2,2,2-trifluoroacetic acid Traditional Name: (2R)-2-amino-N-[(1R)-1-benzyl-2-[(2S,4R)-2-(3-guanidinopropyl)-4-(2-naphthylmethoxy)pyrrolidino]-2-keto-ethyl]-3-(4-hydroxyphenyl)propionamide; 2,2,2-trifluoroacetic acid Formula: C39H45F3N6O6 MolecularWeight: 750.80641

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)N)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1[C@H](CN([C@H]1CCCN=C(N)N)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)N)OCC4=CC5=CC=CC=C5C=C4.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C37H44N6O4.C2HF3O2/c38-33(20-26-13-16-31(44)17-14-26)35(45)42-34(21-25-7-2-1-3-8-25)36(46)43-23-32(22-30(43)11-6-18-41-37(39)40)47-24-27-12-15-28-9-4-5-10-29(28)19-27;3-2(4,5)1(6)7/h1-5,7-10,12-17,19,30,32-34,44H,6,11,18,20-24,38H2,(H,42,45)(H4,39,40,41);(H,6,7)/t30-,32+,33+,34+;/m0./s1