(2S)-2-acetamido-N-[5-[[8-[2-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-9-oxidanylidene-4,8-diazaspiro[4.4]nonan-4-yl]carbonyl]-2-methyl-phenyl]-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-2-acetamido-N-[5-[[8-[2-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-9-oxidanylidene-4,8-diazaspiro[4.4]nonan-4-yl]carbonyl]-2-methyl-phenyl]-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-2-acetamido-N-[5-[8-[2-[[(1S)-1-carbamoyl-2-hydroxy-propyl]amino]-2-oxo-ethyl]-9-oxo-4,8-diazaspiro[4.4]nonane-4-carbonyl]-2-methyl-phenyl]-5-guanidino-pentanamide CAS Name: (2S)-2-acetamido-N-[5-[[8-[2-[[(2S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]-9-oxo-4,8-diazaspiro[4.4]nonan-4-yl]-oxomethyl]-2-methylphenyl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-acetamido-N-[5-[8-[2-[[(2S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]-9-oxo-4,8-diazaspiro[4.4]nonane-4-carbonyl]-2-methylphenyl]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-acetamido-N-[5-[8-[2-[[(1S)-1-carbamoyl-2-hydroxy-propyl]amino]-2-keto-ethyl]-9-keto-4,8-diazaspiro[4.4]nonane-4-carbonyl]-2-methyl-phenyl]-5-guanidino-valeramide Formula: C29H43N9O7 MolecularWeight: 629.70782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC23CCN(C3=O)CC(=O)NC(C(C)O)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCC23CCN(C3=O)CC(=O)N[C@@H](C(C)O)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C29H43N9O7/c1-16-7-8-19(14-21(16)35-25(43)20(34-18(3)40)6-4-11-33-28(31)32)26(44)38-12-5-9-29(38)10-13-37(27(29)45)15-22(41)36-23(17(2)39)24(30)42/h7-8,14,17,20,23,39H,4-6,9-13,15H2,1-3H3,(H2,30,42)(H,34,40)(H,35,43)(H,36,41)(H4,31,32,33)/t17?,20-,23-,29?/m0/s1