(4S)-4-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-5-[[2-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-6-azanyl-2-[[(2S,3R)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-5-[[2-[[(2S)-1-[[(2S)-4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-5-[[2-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-5-[[2-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-[[2-[[(2S)-1-[[(2S)-4-amino-1-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-5-[[2-[[(1S)-2-[[(1S)-3-amino-1-carboxy-3-keto-propyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C39H67N13O19S MolecularWeight: 1054.08998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H67N13O19S/c1-15(54)28(51-34(65)21(10-24(42)57)48-37(68)29(16(2)55)52-38(69)30(17(3)56)50-31(62)18(41)14-72)36(67)47-19(6-4-5-9-40)33(64)46-20(7-8-27(60)61)32(63)44-12-26(59)45-23(13-53)35(66)49-22(39(70)71)11-25(43)58/h15-23,28-30,53-56,72H,4-14,40-41H2,1-3H3,(H2,42,57)(H2,43,58)(H,44,63)(H,45,59)(H,46,64)(H,47,67)(H,48,68)(H,49,66)(H,50,62)(H,51,65)(H,52,69)(H,60,61)(H,70,71)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,28+,29+,30+/m1/s1