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

Systemtic Name: (2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-(3-azidopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(3-azidopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[(3-azido-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(3-azidopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(3-azidopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C31H40N8O8 MolecularWeight: 652.6981

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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)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CCN=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C31H40N8O8/c1-19(2)14-25(31(46)47)38-30(45)24(15-20-6-4-3-5-7-20)37-28(43)18-33-27(42)17-34-29(44)23(36-26(41)12-13-35-39-32)16-21-8-10-22(40)11-9-21/h3-11,19,23-25,40H,12-18H2,1-2H3,(H,33,42)(H,34,44)(H,36,41)(H,37,43)(H,38,45)(H,46,47)/t23-,24-,25-/m0/s1