2-[2-[[(2S)-2-[2-[[3-oxidanylidene-5-phenyl-2-(phenylmethyl)pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[(2S)-2-[2-[[3-oxidanylidene-5-phenyl-2-(phenylmethyl)pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[(2S)-2-[[2-[(2-benzyl-3-oxo-5-phenyl-pentanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(2S)-2-[[2-[[1,3-dioxo-5-phenyl-2-(phenylmethyl)pentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[(2S)-2-[[2-[(2-benzyl-3-oxo-5-phenylpentanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[(2S)-2-[[2-[(2-benzyl-3-keto-5-phenyl-pentanoyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]acetic acid Formula: C33H36N4O7 MolecularWeight: 600.66154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C(CC2=CC=CC=C2)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C(CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C33H36N4O7/c38-28(17-16-23-10-4-1-5-11-23)26(18-24-12-6-2-7-13-24)32(43)35-21-30(40)37-27(19-25-14-8-3-9-15-25)33(44)36-20-29(39)34-22-31(41)42/h1-15,26-27H,16-22H2,(H,34,39)(H,35,43)(H,36,44)(H,37,40)(H,41,42)/t26?,27-/m0/s1