Akdemeecashlpyea

Structural Information

Molecular Formula

C₇₆H₁₁₅N₁₉O₂₉S₂

SMILES

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O)N

InChI

InChI=1S/C76H115N19O29S2/c1-36(2)28-52(75(122)95-26-9-11-55(95)74(121)91-49(29-40-12-14-42(97)15-13-40)69(116)86-44(16-20-56(98)99)63(110)82-39(5)76(123)124)92-70(117)50(30-41-32-79-35-80-41)89-72(119)53(33-96)93-62(109)38(4)81-73(120)54(34-125)94-67(114)47(19-23-59(104)105)84-65(112)45(17-21-57(100)101)85-68(115)48(24-27-126-6)88-66(113)46(18-22-58(102)103)87-71(118)51(31-60(106)107)90-64(111)43(10-7-8-25-77)83-61(108)37(3)78/h12-15,32,35-39,43-55,96-97,125H,7-11,16-31,33-34,77-78H2,1-6H3,(H,79,80)(H,81,120)(H,82,110)(H,83,108)(H,84,112)(H,85,115)(H,86,116)(H,87,118)(H,88,113)(H,89,119)(H,90,111)(H,91,121)(H,92,117)(H,93,109)(H,94,114)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,123,124)/t37-,38-,39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1

InChIKey

ANOMCCIXPXFZJW-RYMMJLGOSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186498