1-[6-azanyl-2-[[2-[[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[[2-[[2-[[2-[[2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[2-[[2-[[2-[(2,5-diamino-5-oxo-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[2-[[2-[[2-[(2,5-diamino-1,5-dioxopentyl)amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[[2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[2-[[2-[[2-[(2,5-diamino-5-keto-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]proline Formula: C36H58N8O9 MolecularWeight: 746.89392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)O)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)O)NC(=O)C(CCC(=O)N)N

InChI

InChI=1S/C36H58N8O9/c1-5-21(4)30(43-31(47)24(38)15-16-28(39)46)34(50)42-29(20(2)3)33(49)41-26(19-22-11-13-23(45)14-12-22)32(48)40-25(9-6-7-17-37)35(51)44-18-8-10-27(44)36(52)53/h11-14,20-21,24-27,29-30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,48)(H,41,49)(H,42,50)(H,43,47)(H,52,53)