3-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-guanidino-pentanoyl)amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-amino-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-6-amino-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[(2-amino-2-oxoethyl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-guanidino-pentanoyl)amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[(2-amino-2-keto-ethyl)amino]-4-keto-butyric acid Formula: C47H79N13O11 MolecularWeight: 1002.21066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H79N13O11/c1-8-28(6)39(60-42(67)32(17-12-13-19-48)55-41(66)31(54-29(7)61)18-14-20-52-47(50)51)46(71)59-34(22-27(4)5)44(69)57-35(23-30-15-10-9-11-16-30)45(70)56-33(21-26(2)3)43(68)58-36(24-38(63)64)40(65)53-25-37(49)62/h9-11,15-16,26-28,31-36,39H,8,12-14,17-25,48H2,1-7H3,(H2,49,62)(H,53,65)(H,54,61)(H,55,66)(H,56,70)(H,57,69)(H,58,68)(H,59,71)(H,60,67)(H,63,64)(H4,50,51,52)