6-azanyl-2-[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[2-[[2-[[6-amino-2-[[2-[[5-guanidino-2-[[2-[[3-mercapto-2-(tyrosylamino)propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]hexanoic acid Formula: C54H95N15O13S MolecularWeight: 1194.4898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H95N15O13S/c1-8-30(5)42(68-47(75)37(17-14-24-60-54(58)59)62-48(76)39(25-29(3)4)65-50(78)41(28-83)67-45(73)35(57)26-33-18-20-34(71)21-19-33)51(79)63-36(15-10-12-22-55)46(74)69-43(31(6)9-2)52(80)66-40(27-70)49(77)61-32(7)44(72)64-38(53(81)82)16-11-13-23-56/h18-21,29-32,35-43,70-71,83H,8-17,22-28,55-57H2,1-7H3,(H,61,77)(H,62,76)(H,63,79)(H,64,72)(H,65,78)(H,66,80)(H,67,73)(H,68,75)(H,69,74)(H,81,82)(H4,58,59,60)