Gc417

Structural Information

Molecular Formula

C₆₆H₁₁₃N₂₃O₂₀S₂

SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C66H113N23O20S2/c1-33(2)51(87-61(105)44(27-37-28-73-32-77-37)80-48(92)29-75-63(107)52(36(5)90)88-55(99)38(69)13-7-9-22-67)64(108)85-43(21-26-111-6)57(101)79-35(4)54(98)81-39(14-8-10-23-68)59(103)86-45(31-110)65(109)89-25-12-16-46(89)62(106)84-42(18-20-49(93)94)60(104)82-40(15-11-24-74-66(71)72)58(102)83-41(17-19-47(70)91)56(100)78-34(3)53(97)76-30-50(95)96/h28,32-36,38-46,51-52,90,110H,7-27,29-31,67-69H2,1-6H3,(H2,70,91)(H,73,77)(H,75,107)(H,76,97)(H,78,100)(H,79,101)(H,80,92)(H,81,98)(H,82,104)(H,83,102)(H,84,106)(H,85,108)(H,86,103)(H,87,105)(H,88,99)(H,93,94)(H,95,96)(H4,71,72,74)/t34-,35-,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1

InChIKey

XVGJHTUMQVBWLK-RCCKQNTISA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[(2S)-1-[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5479502