methyl (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-[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]propanoyl]amino]ethanoylamino]-3-[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]propanoyl]amino]acetyl]amino]-3-(2,4-dioxopyrimidin-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-oxopropyl]amino]-1-oxoethyl]amino]-3-(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]propanoyl]amino]acetyl]amino]-3-(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]propanoyl]amino]acetyl]amino]-3-(2,4-diketopyrimidin-1-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C28H39N7O9 MolecularWeight: 617.65076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CN1C=CC(=O)NC1=O)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C[C@H](C(=O)NCC(=O)N[C@@H](CN1C=CC(=O)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C28H39N7O9/c1-15(2)11-20(27(42)44-4)33-26(41)21(14-35-10-9-22(37)34-28(35)43)32-23(38)13-30-24(39)16(3)31-25(40)19(29)12-17-5-7-18(36)8-6-17/h5-10,15-16,19-21,36H,11-14,29H2,1-4H3,(H,30,39)(H,31,40)(H,32,38)(H,33,41)(H,34,37,43)/t16-,19+,20+,21+/m1/s1