Wvlnnphmkdkttvkewr

Structural Information

Molecular Formula

C₁₀₃H₁₆₀N₃₀O₂₇S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N)O

InChI

InChI=1S/C103H160N30O27S/c1-51(2)40-70(127-98(155)81(52(3)4)129-85(142)61(107)41-56-47-114-62-24-12-10-22-59(56)62)91(148)124-73(44-77(108)136)94(151)128-75(45-78(109)137)101(158)133-38-21-30-76(133)96(153)126-72(43-58-49-112-50-116-58)93(150)120-68(33-39-161-9)89(146)117-64(26-14-17-34-104)87(144)125-74(46-80(140)141)95(152)118-66(28-16-19-36-106)90(147)131-83(54(7)134)100(157)132-84(55(8)135)99(156)130-82(53(5)6)97(154)121-65(27-15-18-35-105)86(143)119-67(31-32-79(138)139)88(145)123-71(42-57-48-115-63-25-13-11-23-60(57)63)92(149)122-69(102(159)160)29-20-37-113-103(110)111/h10-13,22-25,47-55,61,64-76,81-84,114-115,134-135H,14-21,26-46,104-107H2,1-9H3,(H2,108,136)(H2,109,137)(H,112,116)(H,117,146)(H,118,152)(H,119,143)(H,120,150)(H,121,154)(H,122,149)(H,123,145)(H,124,148)(H,125,144)(H,126,153)(H,127,155)(H,128,151)(H,129,142)(H,130,156)(H,131,147)(H,132,157)(H,138,139)(H,140,141)(H,159,160)(H4,110,111,113)/t54-,55-,61+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,81+,82+,83+,84+/m1/s1

InChIKey

DHFZDGZUANOUBF-WQYKAMHBSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597261