N-[3-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-[3-[1-[2-[4-(2-azanylpropanoyl)-3-(2-methylpropyl)-2,5,8-tris(oxidanylidene)-1,4-diazocan-1-yl]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-propanoyl]amino]pyridin-4-yl]morpholine-4-carboxamide

Systemtic Name: N-[3-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-[3-[1-[2-[4-(2-azanylpropanoyl)-3-(2-methylpropyl)-2,5,8-tris(oxidanylidene)-1,4-diazocan-1-yl]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-propanoyl]amino]pyridin-4-yl]morpholine-4-carboxamide Openeye Name: N-[3-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-[3-[1-[2-[4-(2-aminopropanoyl)-3-isobutyl-2,5,8-trioxo-1,4-diazocan-1-yl]-5-guanidino-pentanoyl]pyrrolidin-2-yl]-2-[(4-methoxyphenyl)methyl]-3-oxo-propanoyl]amino]-4-pyridyl]morpholine-4-carboxamide CAS Name: N-[3-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-[3-[1-[2-[4-(2-amino-1-oxopropyl)-3-(2-methylpropyl)-2,5,8-trioxo-1,4-diazocan-1-yl]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-2-[(4-methoxyphenyl)methyl]-1,3-dioxopropyl]amino]-4-pyridinyl]-4-morpholinecarboxamide IUPAC Name: N-[3-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]-[3-[1-[2-[4-(2-aminopropanoyl)-3-(2-methylpropyl)-2,5,8-trioxo-1,4-diazocan-1-yl]-5-(diaminomethylideneamino)pentanoyl]pyrrolidin-2-yl]-2-[(4-methoxyphenyl)methyl]-3-oxopropanoyl]amino]pyridin-4-yl]morpholine-4-carboxamide Traditional Name: N-[3-[[3-[1-[2-(4-alanyl-3-isobutyl-2,5,8-triketo-1,4-diazocan-1-yl)-5-guanidino-pentanoyl]pyrrolidin-2-yl]-3-keto-2-p-anisyl-propanoyl]-[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-pyridyl]morpholine-4-carboxamide Formula: C56H75N13O14 MolecularWeight: 1154.2734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(C(=O)CCC(=O)N1C(=O)C(C)N)C(CCCN=C(N)N)C(=O)N2CCCC2C(=O)C(CC3=CC=C(C=C3)OC)C(=O)N(C4=C(C=CN=C4)NC(=O)N5CCOCC5)C(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC1C(=O)N(C(=O)CCC(=O)N1C(=O)C(C)N)C(CCCN=C(N)N)C(=O)N2CCCC2C(=O)C(CC3=CC=C(C=C3)OC)C(=O)N(C4=C(C=CN=C4)NC(=O)N5CCOCC5)C(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CO)N

InChI

InChI=1S/C56H75N13O14/c1-32(2)27-44-54(80)67(46(72)17-18-47(73)68(44)50(76)33(3)57)43(7-5-20-62-55(59)60)53(79)66-22-6-8-42(66)48(74)38(28-34-11-15-37(82-4)16-12-34)51(77)69(45-30-61-21-19-40(45)64-56(81)65-23-25-83-26-24-65)52(78)41(63-49(75)39(58)31-70)29-35-9-13-36(71)14-10-35/h9-16,19,21,30,32-33,38-39,41-44,70-71H,5-8,17-18,20,22-29,31,57-58H2,1-4H3,(H,63,75)(H4,59,60,62)(H,61,64,81)