(3S)-4-[[2-[[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-3-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-[[2-[[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-3-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoic acid Openeye Name: (3S)-4-[[2-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-3-oxo-propyl]carbamoyl]pentyl]amino]-2-oxo-ethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: (3S)-4-[[2-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-oxo-3-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-[[2-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid Traditional Name: (3S)-4-[[2-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[(1S,2R)-2-hydroxy-1-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]propyl]carbamoyl]-3-keto-propyl]carbamoyl]pentyl]amino]-2-keto-ethyl]amino]-4-keto-3-[[(2S)-prolyl]amino]butyric acid Formula: C28H47N9O12 MolecularWeight: 701.72588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C1CCCN1)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)O

InChI

InChI=1S/C28H47N9O12/c1-13(28(48)49)33-27(47)22(14(2)38)37-26(46)17(10-19(30)39)35-25(45)16(6-3-4-8-29)34-20(40)12-32-23(43)18(11-21(41)42)36-24(44)15-7-5-9-31-15/h13-18,22,31,38H,3-12,29H2,1-2H3,(H2,30,39)(H,32,43)(H,33,47)(H,34,40)(H,35,45)(H,36,44)(H,37,46)(H,41,42)(H,48,49)/t13-,14+,15-,16-,17-,18-,22-/m0/s1