Codactide

Structural Information

Molecular Formula

C₁₀₁H₁₅₈N₃₀O₂₃S

SMILES

CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@@H](CO)N

InChI

InChI=1S/C101H158N30O23S/c1-58(2)84(99(153)115-54-81(135)117-68(26-10-15-40-103)88(142)120-70(28-12-17-42-105)90(144)121-69(27-11-16-41-104)89(143)119-67(85(108)139)25-9-14-39-102)130-98(152)80-31-20-45-131(80)100(154)74(29-13-18-43-106)118-82(136)53-114-87(141)77(49-61-51-113-66-24-8-7-23-64(61)66)127-91(145)71(30-19-44-112-101(109)110)122-94(148)76(47-59-21-5-4-6-22-59)126-96(150)78(50-62-52-111-57-116-62)128-92(146)72(36-37-83(137)138)123-93(147)73(38-46-155-3)124-97(151)79(56-133)129-95(149)75(125-86(140)65(107)55-132)48-60-32-34-63(134)35-33-60/h4-8,21-24,32-35,51-52,57-58,65,67-80,84,113,132-134H,9-20,25-31,36-50,53-56,102-107H2,1-3H3,(H2,108,139)(H,111,116)(H,114,141)(H,115,153)(H,117,135)(H,118,136)(H,119,143)(H,120,142)(H,121,144)(H,122,148)(H,123,147)(H,124,151)(H,125,140)(H,126,150)(H,127,145)(H,128,146)(H,129,149)(H,130,152)(H,137,138)(H4,109,110,112)/t65-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,84+/m1/s1

InChIKey

KXHVGPOWQPPVFU-QQLGXXNZSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132201