(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]amino]-5-amino-1,5-dioxopentyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-4-amino-4-keto-butyric acid Formula: C29H40N8O13 MolecularWeight: 708.6737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N8O13/c1-13(38)33-20(12-24(44)45)29(50)37-19(10-14-2-4-15(39)5-3-14)28(49)35-16(6-8-21(30)40)26(47)34-17(7-9-22(31)41)27(48)36-18(25(32)46)11-23(42)43/h2-5,16-20,39H,6-12H2,1H3,(H2,30,40)(H2,31,41)(H2,32,46)(H,33,38)(H,34,47)(H,35,49)(H,36,48)(H,37,50)(H,42,43)(H,44,45)/t16-,17-,18-,19-,20-/m0/s1