(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid Formula: C40H74N12O13 MolecularWeight: 931.08816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H74N12O13/c1-23(54)32(51-35(59)26(13-4-8-18-43)46-36(60)28(21-31(55)56)49-33(57)24(45)11-2-6-16-41)39(63)52-20-10-15-30(52)38(62)47-25(12-3-7-17-42)34(58)50-29(22-53)37(61)48-27(40(64)65)14-5-9-19-44/h23-30,32,53-54H,2-22,41-45H2,1H3,(H,46,60)(H,47,62)(H,48,61)(H,49,57)(H,50,58)(H,51,59)(H,55,56)(H,64,65)/t23-,24+,25+,26+,27+,28+,29+,30+,32+/m1/s1