(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]ethanoylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]glutaric acid Formula: C28H48N8O13 MolecularWeight: 704.72652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C28H48N8O13/c1-14(2)9-18(25(45)32-12-21(39)34-17(28(48)49)6-7-22(40)41)35-27(47)19(13-37)36-26(46)16(5-3-4-8-29)33-20(38)11-31-24(44)15(30)10-23(42)43/h14-19,37H,3-13,29-30H2,1-2H3,(H,31,44)(H,32,45)(H,33,38)(H,34,39)(H,35,47)(H,36,46)(H,40,41)(H,42,43)(H,48,49)/t15-,16-,17-,18-,19-/m0/s1