(3S)-3-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-4-[[(2S)-1-[(2S)-2-[[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]amino]-3-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methyl-pentanoyl]amino]-4-keto-butyric acid Formula: C28H49N7O10 MolecularWeight: 643.72956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C28H49N7O10/c1-14(2)12-18(32-23(39)17(30)8-5-6-10-29)25(41)33-19(13-21(37)38)24(40)31-15(3)27(43)35-11-7-9-20(35)26(42)34-22(16(4)36)28(44)45/h14-20,22,36H,5-13,29-30H2,1-4H3,(H,31,40)(H,32,39)(H,33,41)(H,34,42)(H,37,38)(H,44,45)/t15-,16+,17-,18-,19-,20-,22-/m0/s1