Nrc-08

Structural Information

Molecular Formula

C₉₃H₁₅₅N₂₇O₃₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C93H155N27O31S/c1-14-45(6)72(118-87(146)64(43-123)115-79(138)54(26-20-21-30-94)108-89(148)73(46(7)15-2)119-91(150)74(47(8)16-3)117-86(145)61(37-71(133)134)113-80(139)55(27-28-70(131)132)109-92(151)75(51(12)125)120-88(147)63(42-122)114-77(136)53(95)25-22-31-100-93(98)99)90(149)116-62(41-121)78(137)103-39-68(129)101-38-67(128)102-40-69(130)106-58(34-52-23-18-17-19-24-52)85(144)110-57(33-44(4)5)84(143)112-60(36-66(97)127)83(142)105-49(10)76(135)107-56(29-32-152-13)81(140)111-59(35-65(96)126)82(141)104-48(9)50(11)124/h17-19,23-24,44-49,51,53-64,72-75,121-123,125H,14-16,20-22,25-43,94-95H2,1-13H3,(H2,96,126)(H2,97,127)(H,101,129)(H,102,128)(H,103,137)(H,104,141)(H,105,142)(H,106,130)(H,107,135)(H,108,148)(H,109,151)(H,110,144)(H,111,140)(H,112,143)(H,113,139)(H,114,136)(H,115,138)(H,116,149)(H,117,145)(H,118,146)(H,119,150)(H,120,147)(H,131,132)(H,133,134)(H4,98,99,100)/t45-,46-,47-,48-,49-,51+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,72-,73-,74-,75-/m0/s1

InChIKey

MMJQOWKLIRGDSQ-MUHZOSBVSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1,4-dioxo-1-[[(2S)-3-oxobutan-2-yl]amino]butan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131772