(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]prop-2-enoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]prop-2-enoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]prop-2-enoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoprop-2-enyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]prop-2-enoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acryloyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C29H37N5O7 MolecularWeight: 567.63338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-26(37)18(3)32-25(36)16-31-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17,22-24,35H,3,13-16,30H2,1-2H3,(H,31,38)(H,32,36)(H,33,37)(H,34,39)(H,40,41)/t22-,23-,24-/m0/s1