Biotin-linker-benzoylphenylananine-ihfrig

Structural Information

Molecular Formula

C₇₁H₁₀₀N₁₆O₁₅S

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6

InChI

InChI=1S/C71H100N16O15S/c1-5-43(3)60(68(98)78-40-59(91)92)85-64(94)50(20-15-29-77-70(72)73)81-65(95)52(36-45-16-9-7-10-17-45)82-66(96)53(38-49-39-74-42-79-49)83-69(99)61(44(4)6-2)86-67(97)51(37-46-23-25-48(26-24-46)63(93)47-18-11-8-12-19-47)80-58(90)28-27-57(89)76-31-33-102-35-34-101-32-30-75-56(88)22-14-13-21-55-62-54(41-103-55)84-71(100)87-62/h7-12,16-19,23-26,39,42-44,50-55,60-62H,5-6,13-15,20-22,27-38,40-41H2,1-4H3,(H,74,79)(H,75,88)(H,76,89)(H,78,98)(H,80,90)(H,81,95)(H,82,96)(H,83,99)(H,85,94)(H,86,97)(H,91,92)(H4,72,73,77)(H2,84,87,100)/t43-,44-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1

InChIKey

MZVWXZDCLNYHAH-FVRPQCCBSA-N

Compound name

2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[4-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(4-benzoylphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]acetic acid

Related CIDs

• CID 146000338