(2S)-1-[(2S)-2-[[5-[(1S)-1-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]methylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[5-[(1S)-1-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]methylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-1-[(2S)-2-[[5-[(1S)-1-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[5-[(1S)-1-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]methylamino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[5-[(1S)-1-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[5-[(1S)-1-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-1,3,4-oxadiazol-2-yl]methylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-amino-2-keto-1-methylol-ethyl]pyrrolidine-2-carboxamide Formula: C40H49N9O9 MolecularWeight: 799.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C2=NN=C(O2)CNC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CO)C(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C2=NN=C(O2)CN[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-48-47-34(58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1