4-[[5-azanyl-2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-5-[[1-[2-[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[5-azanyl-2-[[1-(2-azanylpropanoyl)pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-5-[[1-[2-[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[5-amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-5-[[1-[2-[(3-amino-1-carboxy-3-oxo-propyl)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[5-amino-2-[[[1-(2-amino-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-5-[[1-[2-[[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[5-amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-[[1-[2-[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[(1-alanylprolyl)amino]-5-amino-5-keto-pentanoyl]amino]-5-[[1-[2-[(3-amino-1-carboxy-3-keto-propyl)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]amino]-5-keto-valeric acid Formula: C33H53N9O12 MolecularWeight: 767.82702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(C)N

InChI

InChI=1S/C33H53N9O12/c1-4-16(2)26(32(52)42-14-6-8-22(42)30(50)39-20(33(53)54)15-24(36)44)40-28(48)19(10-12-25(45)46)37-27(47)18(9-11-23(35)43)38-29(49)21-7-5-13-41(21)31(51)17(3)34/h16-22,26H,4-15,34H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,47)(H,38,49)(H,39,50)(H,40,48)(H,45,46)(H,53,54)