6-azanyl-2-[[6-azanyl-2-[2-[[2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]hexanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[6-azanyl-2-[2-[[2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]ethanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoylamino]hexanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[6-amino-2-[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]hexanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[6-amino-2-[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]hexanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[6-amino-2-[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]propanoylamino]hexanoyl]amino]hexanoic acid Formula: C60H106N16O14S MolecularWeight: 1307.64744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CCSC)N

Isomeric SMILES

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)CNC(=O)C(CCSC)N

InChI

InChI=1S/C60H106N16O14S/c1-7-37(4)50(76-49(79)34-66-52(81)40(65)25-30-91-6)59(88)67-33-48(78)69-41(21-11-15-26-61)53(82)74-46(32-39-19-9-8-10-20-39)57(86)73-45(31-36(2)3)56(85)71-43(23-13-17-28-63)55(84)75-47(35-77)58(87)68-38(5)51(80)70-42(22-12-16-27-62)54(83)72-44(60(89)90)24-14-18-29-64/h8-10,19-20,36-38,40-47,50,77H,7,11-18,21-35,61-65H2,1-6H3,(H,66,81)(H,67,88)(H,68,87)(H,69,78)(H,70,80)(H,71,85)(H,72,83)(H,73,86)(H,74,82)(H,75,84)(H,76,79)(H,89,90)