Hng-105

Structural Information

Molecular Formula

C₇₁H₁₀₆N₂₂O₁₇S₂

SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)CC)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CC2=CC3=CC=CC=C3N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N)N4C=C(N=N4)C5=CC=CC=C5)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C71H106N22O17S2/c1-8-36(3)57(88-61(101)43(72)19-15-25-78-71(76)77)69(109)86-49(31-54(73)95)65(105)84-50(32-55(74)96)66(106)89-58(37(4)9-2)70(110)92-33-42(93-34-51(90-91-93)39-16-11-10-12-17-39)30-53(92)68(108)85-48(29-41-28-40-18-13-14-20-44(40)80-41)64(104)87-52(35-94)67(107)83-46(21-22-56(97)98)62(102)79-38(5)60(100)82-47(24-27-112-7)63(103)81-45(59(75)99)23-26-111-6/h10-14,16-18,20,28,34,36-38,42-43,45-50,52-53,57-58,80,94H,8-9,15,19,21-27,29-33,35,72H2,1-7H3,(H2,73,95)(H2,74,96)(H2,75,99)(H,79,102)(H,81,103)(H,82,100)(H,83,107)(H,84,105)(H,85,108)(H,86,109)(H,87,104)(H,88,101)(H,89,106)(H,97,98)(H4,76,77,78)/t36?,37?,38-,42-,43-,45-,46-,47-,48-,49-,50-,52-,53-,57-,58-/m0/s1

InChIKey

NRYXORORZLCPHB-JTAUFLCQSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,4S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]-4-(4-phenyltriazol-1-yl)pyrrolidine-2-carbonyl]amino]-3-(1H-indol-2-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25085904