4-[[4-azanyl-1-[[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-azanyl-1-[[1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-amino-1-[[2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-amino-1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-amino-1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-amino-1-[[2-(carboxymethylamino)-2-keto-1-methyl-ethyl]carbamoyl]-3-keto-propyl]amino]-3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C43H69N13O14 MolecularWeight: 992.08666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NCC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NCC(=O)O)N

InChI

InChI=1S/C43H69N13O14/c1-21(2)14-25(44)36(64)56-31(20-57)42(70)51-26(12-9-13-48-43(46)47)37(65)52-27(15-22(3)4)39(67)53-28(16-24-10-7-6-8-11-24)40(68)55-30(18-33(59)60)41(69)54-29(17-32(45)58)38(66)50-23(5)35(63)49-19-34(61)62/h6-8,10-11,21-23,25-31,57H,9,12-20,44H2,1-5H3,(H2,45,58)(H,49,63)(H,50,66)(H,51,70)(H,52,65)(H,53,67)(H,54,69)(H,55,68)(H,56,64)(H,59,60)(H,61,62)(H4,46,47,48)