Hl18 (r101n)

Structural Information

Molecular Formula

C₉₇H₁₅₃N₃₅O₂₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C97H153N35O24/c1-11-48(8)76(128-71(136)44-116-80(142)60(30-31-68(99)133)120-87(149)67-29-20-36-132(67)92(154)66(41-72(137)138)127-85(147)65(40-70(101)135)126-89(151)74(46(4)5)131-90(152)75(47(6)7)129-79(141)55(98)23-16-32-110-94(102)103)91(153)121-58(26-17-33-111-95(104)105)81(143)117-49(9)77(139)124-63(38-52-43-115-57-25-15-13-22-54(52)57)86(148)130-73(45(2)3)88(150)118-50(10)78(140)123-62(37-51-42-114-56-24-14-12-21-53(51)56)83(145)119-59(27-18-34-112-96(106)107)82(144)125-64(39-69(100)134)84(146)122-61(93(155)156)28-19-35-113-97(108)109/h12-15,21-22,24-25,42-43,45-50,55,58-67,73-76,114-115H,11,16-20,23,26-41,44,98H2,1-10H3,(H2,99,133)(H2,100,134)(H2,101,135)(H,116,142)(H,117,143)(H,118,150)(H,119,145)(H,120,149)(H,121,153)(H,122,146)(H,123,140)(H,124,139)(H,125,144)(H,126,151)(H,127,147)(H,128,136)(H,129,141)(H,130,148)(H,131,152)(H,137,138)(H,155,156)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)(H4,108,109,113)/t48-,49-,50-,55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-/m0/s1

InChIKey

BPSLDFYYGCDYRV-WIAKYHHWSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16133654