(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxy-butanoyl]prolyl]amino]propanoyl]amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-(methylthio)butyric acid Formula: C38H65N11O14S MolecularWeight: 932.053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C38H65N11O14S/c1-7-17(2)29(36(60)47-24(16-50)34(58)45-22(38(62)63)12-14-64-6)48-31(55)19(4)42-32(56)21(10-11-26(39)52)44-33(57)23(15-27(40)53)46-30(54)18(3)43-35(59)25-9-8-13-49(25)37(61)28(41)20(5)51/h17-25,28-29,50-51H,7-16,41H2,1-6H3,(H2,39,52)(H2,40,53)(H,42,56)(H,43,59)(H,44,57)(H,45,58)(H,46,54)(H,47,60)(H,48,55)(H,62,63)/t17-,18-,19-,20+,21-,22-,23-,24-,25-,28-,29-/m0/s1