2-[[2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[[5-[bis(azanyl)methylideneamino]-1-[2-[3-(naphthalen-1-ylamino)-3-oxidanylidene-propanoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-[[2-[[2-(2-azanylpropanoylamino)-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[[5-[bis(azanyl)methylideneamino]-1-[2-[3-(naphthalen-1-ylamino)-3-oxidanylidene-propanoyl]pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide Openeye Name: 2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[[4-guanidino-1-[2-[3-(1-naphthylamino)-3-oxo-propanoyl]pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[1-[[5-(diaminomethylideneamino)-1-[2-[3-(1-naphthalenylamino)-1,3-dioxopropyl]-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: 2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[[5-(diaminomethylideneamino)-1-[2-[3-(naphthalen-1-ylamino)-3-oxopropanoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: 2-[[2-[[2-(alanylamino)-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[[4-guanidino-1-[2-[3-keto-3-(1-naphthylamino)propanoyl]pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C50H71N11O10 MolecularWeight: 986.16644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)CC(=O)NC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(C)N

InChI

InChI=1S/C50H71N11O10/c1-28(2)23-37(57-46(68)38(24-29(3)4)58-47(69)39(25-31-17-19-33(63)20-18-31)59-48(70)40(27-62)60-44(66)30(5)51)45(67)56-36(15-9-21-54-50(52)53)49(71)61-22-10-16-41(61)42(64)26-43(65)55-35-14-8-12-32-11-6-7-13-34(32)35/h6-8,11-14,17-20,28-30,36-41,62-63H,9-10,15-16,21-27,51H2,1-5H3,(H,55,65)(H,56,67)(H,57,68)(H,58,69)(H,59,70)(H,60,66)(H4,52,53,54)