2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-(glycylamino)-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C49H93N13O10 MolecularWeight: 1024.34382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CN

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CN

InChI

InChI=1S/C49H93N13O10/c1-13-31(12)40(62-42(65)33(18-16-20-54-49(52)53)57-43(66)34(21-26(2)3)55-38(63)25-51)47(70)60-37(24-29(8)9)46(69)59-36(23-28(6)7)45(68)58-35(22-27(4)5)44(67)56-32(17-14-15-19-50)41(64)61-39(30(10)11)48(71)72/h26-37,39-40H,13-25,50-51H2,1-12H3,(H,55,63)(H,56,67)(H,57,66)(H,58,68)(H,59,69)(H,60,70)(H,61,64)(H,62,65)(H,71,72)(H4,52,53,54)