Nh2-ala-thr-gln-gln-glu-ala-ile-glu-lys-val-thr-glu-ala-leu-lys-ile-thr-asn-leu-arg-cooh

Structural Information

Molecular Formula

C₉₇H₁₇₀N₂₈O₃₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C97H170N28O33/c1-17-46(9)72(121-79(140)50(13)108-80(141)58(29-34-68(132)133)112-82(143)56(27-32-65(101)129)111-83(144)57(28-33-66(102)130)114-93(154)74(51(14)126)123-77(138)48(11)100)91(152)113-60(31-36-70(136)137)84(145)109-54(24-19-21-37-98)85(146)120-71(45(7)8)90(151)124-75(52(15)127)94(155)115-59(30-35-69(134)135)81(142)107-49(12)78(139)117-62(40-43(3)4)87(148)110-55(25-20-22-38-99)86(147)122-73(47(10)18-2)92(153)125-76(53(16)128)95(156)119-64(42-67(103)131)89(150)118-63(41-44(5)6)88(149)116-61(96(157)158)26-23-39-106-97(104)105/h43-64,71-76,126-128H,17-42,98-100H2,1-16H3,(H2,101,129)(H2,102,130)(H2,103,131)(H,107,142)(H,108,141)(H,109,145)(H,110,148)(H,111,144)(H,112,143)(H,113,152)(H,114,154)(H,115,155)(H,116,149)(H,117,139)(H,118,150)(H,119,156)(H,120,146)(H,121,140)(H,122,147)(H,123,138)(H,124,151)(H,125,153)(H,132,133)(H,134,135)(H,136,137)(H,157,158)(H4,104,105,106)/t46-,47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,71-,72-,73-,74-,75-,76-/m0/s1

InChIKey

FXBHBSGJFCKOOH-PIUWRZOHSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131751