(3S,4S)-N-[(2S)-1-(ethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(5-oxidanylidenehexanoylamino)pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-heptanamide

Systemtic Name: (3S,4S)-N-[(2S)-1-(ethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(5-oxidanylidenehexanoylamino)pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-heptanamide Openeye Name: (3S,4S)-N-[(1S)-1-(ethylcarbamoyl)-2-methyl-propyl]-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(5-oxohexanoylamino)pentanoyl]amino]pentanoyl]amino]heptanamide CAS Name: (3S,4S)-4-[[(2S)-2-[[(2S,3S)-2-(1,5-dioxohexylamino)-3-methyl-1-oxopentyl]amino]-1-oxopentyl]amino]-N-[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide IUPAC Name: (3S,4S)-N-[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(5-oxohexanoylamino)pentanoyl]amino]pentanoyl]amino]heptanamide Traditional Name: (3S,4S)-N-[(1S)-1-(ethylcarbamoyl)-2-methyl-propyl]-3-hydroxy-4-[[(2S)-2-[[(2S,3S)-2-(5-ketohexanoylamino)-3-methyl-pentanoyl]amino]pentanoyl]amino]-6-methyl-enanthamide Formula: C32H59N5O7 MolecularWeight: 625.84016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(C)C)C(CC(=O)NC(C(C)C)C(=O)NCC)O)NC(=O)C(C(C)CC)NC(=O)CCCC(=O)C

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)NCC)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCCC(=O)C

InChI

InChI=1S/C32H59N5O7/c1-10-14-23(34-32(44)29(21(8)11-2)36-26(40)16-13-15-22(9)38)30(42)35-24(17-19(4)5)25(39)18-27(41)37-28(20(6)7)31(43)33-12-3/h19-21,23-25,28-29,39H,10-18H2,1-9H3,(H,33,43)(H,34,44)(H,35,42)(H,36,40)(H,37,41)/t21-,23-,24-,25-,28-,29-/m0/s1