4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl-phenethyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl-phenethyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl-phenethyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinyl]methyl-phenethylamino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl-phenethylamino]-4-oxobutanoic acid Traditional Name: 4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl-phenethyl-amino]-4-keto-butyric acid Formula: C27H42N4O5 MolecularWeight: 502.64618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C(C)(C)C)NC

Isomeric SMILES

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C(C)(C)C)NC

InChI

InChI=1S/C27H42N4O5/c1-19(28-5)25(35)29-24(27(2,3)4)26(36)31-16-9-12-21(31)18-30(22(32)13-14-23(33)34)17-15-20-10-7-6-8-11-20/h6-8,10-11,19,21,24,28H,9,12-18H2,1-5H3,(H,29,35)(H,33,34)/t19-,21-,24+/m0/s1