(2S)-5-azanyl-2-[[(4S)-4-[[(4S)-4-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(4S)-4-[[(4S)-4-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(4S)-4-[[(4S)-4-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C34H38N8O11 MolecularWeight: 734.71252

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)N)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C34H38N8O11/c1-2-15-42(17-18-3-8-22-21(16-18)30(47)41-34(36)40-22)20-6-4-19(5-7-20)29(46)39-25(33(52)53)11-14-28(45)38-24(32(50)51)10-13-27(44)37-23(31(48)49)9-12-26(35)43/h1,3-8,16,23-25H,9-15,17H2,(H2,35,43)(H,37,44)(H,38,45)(H,39,46)(H,48,49)(H,50,51)(H,52,53)(H3,36,40,41,47)/t23-,24-,25-/m0/s1