methyl (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(5-methyl-2,4-dioxo-1-pyrimidinyl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(2,4-diketo-5-methyl-pyrimidin-1-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C35H45N7O9 MolecularWeight: 707.7733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C35H45N7O9/c1-20(2)14-27(34(49)51-4)40-33(48)28(19-42-18-21(3)30(45)41-35(42)50)38-29(44)17-37-32(47)26(16-22-8-6-5-7-9-22)39-31(46)25(36)15-23-10-12-24(43)13-11-23/h5-13,18,20,25-28,43H,14-17,19,36H2,1-4H3,(H,37,47)(H,38,44)(H,39,46)(H,40,48)(H,41,45,50)/t25-,26+,27-,28-/m0/s1