2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-methyl-pentanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-methyl-pentanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[[5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-3-methylpentanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[[5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-valeric acid; tosylic acid Formula: C48H71N11O11S MolecularWeight: 1010.20944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C41H63N11O8.C7H8O3S/c1-5-25(3)32(51-35(54)30(20-14-22-47-40(44)45)50-41(59)60-24-28-17-11-8-12-18-28)37(56)49-31(23-27-15-9-7-10-16-27)36(55)48-29(19-13-21-46-39(42)43)34(53)52-33(38(57)58)26(4)6-2;1-6-2-4-7(5-3-6)11(8,9)10/h7-12,15-18,25-26,29-33H,5-6,13-14,19-24H2,1-4H3,(H,48,55)(H,49,56)(H,50,59)(H,51,54)(H,52,53)(H,57,58)(H4,42,43,46)(H4,44,45,47);2-5H,1H3,(H,8,9,10)