2-[2-[[2-[[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[1-(2-amino-4-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[[1-(2-amino-4-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[1-(2-amino-4-methyl-pentanoyl)prolyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]glutaric acid Formula: C50H84N12O22 MolecularWeight: 1205.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N.CC(C)CC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N.CC(C)CC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/2C25H42N6O11/c2*1-12(2)9-14(26)24(40)31-8-4-5-17(31)22(38)29-16(11-32)21(37)30-20(13(3)33)23(39)27-10-18(34)28-15(25(41)42)6-7-19(35)36/h2*12-17,20,32-33H,4-11,26H2,1-3H3,(H,27,39)(H,28,34)(H,29,38)(H,30,37)(H,35,36)(H,41,42)