2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[[5-azanyl-2-[[2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[5-amino-2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C47H88N14O12S MolecularWeight: 1073.35322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C47H88N14O12S/c1-9-25(6)35(59-38(64)28(49)15-12-13-19-48)45(71)58-33(23-74)42(68)56-31(21-24(4)5)41(67)54-29(16-14-20-53-47(51)52)39(65)60-36(26(7)10-2)43(69)55-30(17-18-34(50)63)40(66)61-37(27(8)11-3)44(70)57-32(22-62)46(72)73/h24-33,35-37,62,74H,9-23,48-49H2,1-8H3,(H2,50,63)(H,54,67)(H,55,69)(H,56,68)(H,57,70)(H,58,71)(H,59,64)(H,60,65)(H,61,66)(H,72,73)(H4,51,52,53)