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

Systemtic Name: 3-azanyl-4-[[1-[[4-azanyl-1-[[1-[[1-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[3-amino-1-[[2-[[1-[[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[4-amino-1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[4-amino-1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[3-amino-1-[[2-[[1-[[1-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]-3-keto-propyl]carbamoyl]-4-guanidino-butyl]amino]-4-keto-butyric acid Formula: C44H67N15O10 MolecularWeight: 966.09728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C44H67N15O10/c1-24(2)19-31(40(67)55-29(16-10-18-53-44(50)51)38(65)56-30(36(47)63)20-25-11-5-3-6-12-25)57-41(68)32(21-26-13-7-4-8-14-26)58-42(69)33(23-34(46)60)59-39(66)28(15-9-17-52-43(48)49)54-37(64)27(45)22-35(61)62/h3-8,11-14,24,27-33H,9-10,15-23,45H2,1-2H3,(H2,46,60)(H2,47,63)(H,54,64)(H,55,67)(H,56,65)(H,57,68)(H,58,69)(H,59,66)(H,61,62)(H4,48,49,52)(H4,50,51,53)