(2S)-2-[[(2S)-2-[2-[[(2R,3R)-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2R,3R)-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2R,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[2-[[(2R,3R)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methylpentanamide Traditional Name: (2S)-N-[(1S)-2-amino-2-keto-1-methylol-ethyl]-2-[[(2S)-2-[[2-[[(2R,3R)-2-[[(2S)-2-(glycylamino)-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeramide Formula: C35H50N8O9 MolecularWeight: 726.8197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

C[C@H]([C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CN)O

InChI

InChI=1S/C35H50N8O9/c1-20(2)14-24(32(49)42-27(19-44)31(37)48)41-33(50)25(15-22-10-6-4-7-11-22)40-29(47)18-38-35(52)30(21(3)45)43-34(51)26(39-28(46)17-36)16-23-12-8-5-9-13-23/h4-13,20-21,24-27,30,44-45H,14-19,36H2,1-3H3,(H2,37,48)(H,38,52)(H,39,46)(H,40,47)(H,41,50)(H,42,49)(H,43,51)/t21-,24+,25+,26+,27+,30-/m1/s1