(2S)-N-[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]butanediamide

Systemtic Name: (2S)-N-[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]butanediamide Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-N-[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]butanediamide CAS Name: (2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]butanediamide Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-pentanoyl]amino]-N-[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]succinamide Formula: C20H37N7O8S MolecularWeight: 535.61488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(CS)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)N

InChI

InChI=1S/C20H37N7O8S/c1-4-8(2)14(26-19(34)12(7-36)25-17(32)10(21)6-28)20(35)24-11(5-13(22)30)18(33)27-15(9(3)29)16(23)31/h8-12,14-15,28-29,36H,4-7,21H2,1-3H3,(H2,22,30)(H2,23,31)(H,24,35)(H,25,32)(H,26,34)(H,27,33)/t8-,9+,10-,11-,12-,14-,15-/m0/s1