(3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]-[(2S)-2-oxidanylpropanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]-[(2S)-2-oxidanylpropanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]-[(2S)-2-hydroxypropanoyl]amino]propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-[(2S)-2-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]-[(2S)-2-hydroxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid Traditional Name: (3R)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]-[(2S)-2-hydroxypropanoyl]amino]propanoyl]amino]-5-keto-valeric acid Formula: C25H36N4O9 MolecularWeight: 536.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C(C)C(=O)NC(CC=O)CC(=O)O)C(=O)C(C)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O9/c1-13(2)21(28-23(36)19(26)11-16-5-7-18(32)8-6-16)25(38)29(24(37)15(4)31)14(3)22(35)27-17(9-10-30)12-20(33)34/h5-8,10,13-15,17,19,21,31-32H,9,11-12,26H2,1-4H3,(H,27,35)(H,28,36)(H,33,34)/t14-,15-,17+,19-,21-/m0/s1