2-[[2-[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoic acid

Systemtic Name: 2-[[2-[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-6-azanyl-hexanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-guanidino-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-6-amino-hexanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-6-aminohexanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-guanidino-pentanoyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-6-amino-hexanoic acid Formula: C43H81N15O11 MolecularWeight: 984.19714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H81N15O11/c1-8-24(5)33(58-40(67)34(25(6)9-2)57-37(64)27(52-26(7)60)15-12-18-49-42(45)46)39(66)55-30(20-23(3)4)38(65)56-31(22-59)35(62)51-21-32(61)53-28(16-13-19-50-43(47)48)36(63)54-29(41(68)69)14-10-11-17-44/h23-25,27-31,33-34,59H,8-22,44H2,1-7H3,(H,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,66)(H,56,65)(H,57,64)(H,58,67)(H,68,69)(H4,45,46,49)(H4,47,48,50)