(3S)-3-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: (3S)-3-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxidanylidene-4-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-4-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C43H75N11O14S MolecularWeight: 1002.1859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCSC)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(C)N

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)N

InChI

InChI=1S/C43H75N11O14S/c1-21(2)18-28(50-37(61)27(14-17-69-8)49-40(64)31-13-11-16-54(31)42(66)30(20-55)52-34(58)23(5)45)39(63)53-33(22(3)4)41(65)46-24(6)35(59)48-26(12-9-10-15-44)36(60)51-29(19-32(56)57)38(62)47-25(7)43(67)68/h21-31,33,55H,9-20,44-45H2,1-8H3,(H,46,65)(H,47,62)(H,48,59)(H,49,64)(H,50,61)(H,51,60)(H,52,58)(H,53,63)(H,56,57)(H,67,68)/t23-,24+,25-,26+,27+,28+,29+,30+,31+,33+/m1/s1