Fdemeessshlpyi

Structural Information

Molecular Formula

C₇₄H₁₀₆N₁₆O₂₇S

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C74H106N16O27S/c1-6-38(4)60(74(116)117)89-68(110)48(29-40-14-16-42(94)17-15-40)84-72(114)55-13-10-25-90(55)73(115)51(27-37(2)3)85-66(108)49(30-41-32-76-36-77-41)83-69(111)52(33-91)87-71(113)54(35-93)88-70(112)53(34-92)86-64(106)46(20-23-58(99)100)78-62(104)44(18-21-56(95)96)79-65(107)47(24-26-118-5)81-63(105)45(19-22-57(97)98)80-67(109)50(31-59(101)102)82-61(103)43(75)28-39-11-8-7-9-12-39/h7-9,11-12,14-17,32,36-38,43-55,60,91-94H,6,10,13,18-31,33-35,75H2,1-5H3,(H,76,77)(H,78,104)(H,79,107)(H,80,109)(H,81,105)(H,82,103)(H,83,111)(H,84,114)(H,85,108)(H,86,106)(H,87,113)(H,88,112)(H,89,110)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,116,117)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-/m0/s1

InChIKey

DAPRHZLYTOCQBC-DSUJQSSKSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16186497