2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[2-[(phenylmethyl)amino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[2-[(phenylmethyl)amino]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-2-[[2-(benzylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-2-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]pentyl]amino]-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-2-[[2-(benzylamino)acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-2-[[2-(benzylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetic acid Formula: C23H36N4O5 MolecularWeight: 448.55574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)CNCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)CNCC1=CC=CC=C1

InChI

InChI=1S/C23H36N4O5/c1-15(2)10-18(22(31)25-14-21(29)30)27-23(32)19(11-16(3)4)26-20(28)13-24-12-17-8-6-5-7-9-17/h5-9,15-16,18-19,24H,10-14H2,1-4H3,(H,25,31)(H,26,28)(H,27,32)(H,29,30)/t18-,19-/m0/s1