(2S)-N-(1-adamantyl)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanamide CAS Name: (2S)-N-(1-adamantyl)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeramide Formula: C38H52N6O6 MolecularWeight: 688.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)C(CC5=CC=C(C=C5)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)N

InChI

InChI=1S/C38H52N6O6/c1-23(2)12-31(37(50)44-38-18-26-13-27(19-38)15-28(14-26)20-38)43-36(49)32(17-24-6-4-3-5-7-24)42-34(47)22-40-33(46)21-41-35(48)30(39)16-25-8-10-29(45)11-9-25/h3-11,23,26-28,30-32,45H,12-22,39H2,1-2H3,(H,40,46)(H,41,48)(H,42,47)(H,43,49)(H,44,50)/t26?,27?,28?,30-,31-,32-,38?/m0/s1