ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-3-methyl-2-(piperidin-4-ylcarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-3-methyl-2-(piperidin-4-ylcarbonylamino)butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-methyl-2-(piperidine-4-carbonylamino)butanoyl]amino]-5-oxo-pentanoyl]amino]-6-methyl-hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-methyl-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]butyl]amino]-1,5-dioxopentyl]amino]-6-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-methyl-2-(piperidine-4-carbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-6-methylhept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(isonipecotoylamino)-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]-6-methyl-hept-2-enoic acid ethyl ester Formula: C26H45N5O6 MolecularWeight: 523.6654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C1CCNCC1

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1CCNCC1

InChI

InChI=1S/C26H45N5O6/c1-6-37-22(33)10-7-19(15-16(2)3)29-25(35)20(8-9-21(27)32)30-26(36)23(17(4)5)31-24(34)18-11-13-28-14-12-18/h7,10,16-20,23,28H,6,8-9,11-15H2,1-5H3,(H2,27,32)(H,29,35)(H,30,36)(H,31,34)/b10-7+/t19-,20+,23+/m1/s1